SCHEMBL3345916

SCHEMBL3345916

CC(C)NC(=O)c1ccc(Br)cc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.54
ALDH1A1 P00352 4/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
LMNA P02545 2/20 0.54
GAA P10253 2/20 0.54
KMT2A Q03164 1/20 0.54
HTT P42858 2/20 0.52
USP2 O75604 1/20 0.52
FLT1 P17948 1/20 0.49
FLT4 P35916 1/20 0.49
KDR P35968 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
POLB P06746 1/20 0.46
USP30 Q70CQ3 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
HPGD P15428 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1951610 0.86 DGAT1 (0.51) DGAT1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL24671489 0.86 NPC1 (0.50) DGAT1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6415801 0.83 ALDH1A1 (0.58) ALDH1A1NPC1RAB9ASMN1; SMN2GAA
SCHEMBL3341029 0.83 SMN1; SMN2 (0.50) DGAT1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL29278885 0.82 NPC1 (0.50) DGAT1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL29278887 0.82 NPC1 (0.50) DGAT1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL12121133 0.81 ALDH1A1 (0.47) ALDH1A1NPC1LMNAGAAPOLB
SCHEMBL26905965 0.81 HTT (0.54) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL20460550 0.81 HTT (0.54) ALDH1A1NPC1RAB9ASMN1; SMN2GAA
SCHEMBL403566 0.81 KMT2A (0.46) DGAT1ALDH1A1NPC1RAB9ASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11214573-B2 Azetidinyl phenyl, pyridyl or pyrazinyl carboxamide derivatives as JAK inhibitors INCYTE HOLDINGS CORPORATION (US) 2022-01-04 US disclosed
US-20200181077-A1 CYCLOPROPYLAMINES AS LSD1 INHIBITORS INCYTE CORPORATION (US) 2020-06-11 US disclosed
US-20200079783-A1 AZETIDINYL PHENYL, PYRIDYL OR PYRAZINYL CARBOXAMIDE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION 2020-03-12 US disclosed
US-10513522-B2 Azetidinyl phenyl, pyridyl or pyrazinyl carboxamide derivatives as JAK inhibitors INCYTE CORPORATION (US) 2019-12-24 US disclosed
US-20170253598-A1 AZETIDINYL PHENYL, PYRIDYL OR PYRAZINYL CARBOXAMIDE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION 2017-09-07 US disclosed
US-9695175-B2 Highly selective c-Met inhibitors as anticancer agents CB THERAPEUTICS INC. (KY) 2017-07-04 US disclosed
US-9695175-B2 Highly selective c-Met inhibitors as anticancer agents CB THERAPEUTICS INC. (KY) 2017-07-04 US disclosed
US-20170158633-A1 CYCLOPROPYLAMINES AS LSD1 INHIBITORS INCYTE CORPORATION (US) 2017-06-08 US disclosed
US-9611269-B2 Azetidinyl phenyl, pyridyl or pyrazinyl carboxamide derivatives as JAK inhibitors INCYTE CORPORATION (US) 2017-04-04 US disclosed
US-9527835-B2 Cyclopropylamines as LSD1 inhibitors INCYTE CORPORATION (US) 2016-12-27 US disclosed
US-20130018034-A1 AZETIDINYL PHENYL, PYRIDYL OR PYRAZINYL CARBOXAMIDE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION (US) 2013-01-17 US disclosed
WO-2012177606-A1 AZETIDINYL PHENYL, PYRIDYL OR PYRAZINYL CARBOXAMIDE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION (US) 2012-12-27 WO disclosed
EP-1784388-B3 BIPHENYLOXYACETIC ACID DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASE ASTRAZENECA AB (SE) 2012-09-05 EP disclosed
US-20120178732-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease LUKER TIMOTHY JON (GB) 2012-07-12 US disclosed
CN-101048369-B Biphenyloxyacetic acid derivatives for the treatment of respiratory disease ASTRAZENECA AB 2010-09-08 CN disclosed
US-20100160285-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease ASTRAZENECA AB (SE) 2010-06-24 US disclosed
US-7737135-B2 Biphenyloxyacetic acid derivatives for the treatment of respiratory disease ASTRAZENECA AB (SE) 2010-06-15 US disclosed
EP-1784388-B1 BIPHENYLOXYACETIC ACID DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASE ASTRAZENECA AB (SE) 2009-11-04 EP disclosed
US-20080132480-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease ASTRAZENECA AB (SE) 2008-06-05 US disclosed
CN-101048369-A Biphenyloxyacetic acid derivatives for the treatment of respiratory disease ASTRAZENECA AB (SE) 2007-10-03 CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120178732-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease CYP26A1, CYP1A1, GPBAR1 DGAT1 1488/4885ALDH1A1 42/4885NPC1 1236/4885
US-10513522-B2 Azetidinyl phenyl, pyridyl or pyrazinyl carboxamide derivatives as JAK inhibitors JAK1, JAK3, JAK2 DGAT1 3797/4885ALDH1A1 3252/4885NPC1 4373/4885
US-20100160285-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease CYP26A1, CYP1A1, GPBAR1 DGAT1 1488/4885ALDH1A1 42/4885NPC1 1236/4885
US-20130018034-A1 AZETIDINYL PHENYL, PYRIDYL OR PYRAZINYL CARBOXAMIDE DERIVATIVES AS JAK INHIBITORS JAK1, JAK3, JAK2 DGAT1 3797/4885ALDH1A1 3252/4885NPC1 4373/4885
US-20080132480-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease CYP26A1, CYP1A1, GPBAR1 DGAT1 1488/4885ALDH1A1 42/4885NPC1 1236/4885
US-20200181077-A1 CYCLOPROPYLAMINES AS LSD1 INHIBITORS KDM1B, KDM1A, KDM2A DGAT1 1497/4885ALDH1A1 457/4885NPC1 1387/4885
US-11214573-B2 Azetidinyl phenyl, pyridyl or pyrazinyl carboxamide derivatives as JAK inhibitors JAK1, JAK3, JAK2 DGAT1 3797/4885ALDH1A1 3252/4885NPC1 4373/4885
US-20170253598-A1 AZETIDINYL PHENYL, PYRIDYL OR PYRAZINYL CARBOXAMIDE DERIVATIVES AS JAK INHIBITORS JAK1, JAK3, JAK2 DGAT1 3797/4885ALDH1A1 3252/4885NPC1 4373/4885
US-20200079783-A1 AZETIDINYL PHENYL, PYRIDYL OR PYRAZINYL CARBOXAMIDE DERIVATIVES AS JAK INHIBITORS JAK1, JAK3, JAK2 DGAT1 3797/4885ALDH1A1 3252/4885NPC1 4373/4885
US-20170158633-A1 CYCLOPROPYLAMINES AS LSD1 INHIBITORS KDM1B, KDM1A, KDM2A DGAT1 1497/4885ALDH1A1 457/4885NPC1 1387/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.