SCHEMBL3343582

SCHEMBL3343582

O=C(NC1CCCC1)c1ccc(Br)cc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.55
RAB9A P51151 7/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
KDM1A O60341 1/20 0.51
MAOA P21397 1/20 0.51
ALDH1A1 P00352 4/20 0.50
LMNA P02545 3/20 0.50
KMT2A Q03164 2/20 0.50
DGAT1 O75907 1/20 0.50
GAA P10253 1/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
HPGD P15428 5/20 0.49
USP30 Q70CQ3 1/20 0.48
TP53 P04637 1/20 0.48
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
KDM4E B2RXH2 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL506741 0.98 NPC1 (0.57) NPC1RAB9ASMN1; SMN2KDM1AMAOA
SCHEMBL16935503 0.97 RAB9A (0.51) NPC1RAB9ASMN1; SMN2KDM1AMAOA
SCHEMBL3343302 0.94 HPGD (0.55) NPC1RAB9ASMN1; SMN2KDM1AMAOA
SCHEMBL4514465 0.85 ACKR3 (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL21026342 0.84 TMEM97 (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL22227215 0.84 RAB9A (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL20460485 0.82 NPC1 (0.55) NPC1RAB9ASMN1; SMN2KDM1AMAOA
SCHEMBL12121141 0.82 NPC1 (0.68) NPC1RAB9ASMN1; SMN2KDM1AMAOA
SCHEMBL13498283 0.82 CRBN (0.57) NPC1RAB9ASMN1; SMN2KDM1AMAOA
SCHEMBL16236985 0.81 HPGD (0.54) NPC1RAB9ASMN1; SMN2KDM1AMAOA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722741-B2 Biphenyloxyacetic acid derivatives for the treatment of respiratory disease ASTRAZENECA AB (SE) 2014-05-13 US 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 (3 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 NPC1 1236/4885RAB9A 2136/4885SMN1; SMN2 2732/4885
US-20100160285-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease CYP26A1, CYP1A1, GPBAR1 NPC1 1236/4885RAB9A 2136/4885SMN1; SMN2 2732/4885
US-20080132480-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease CYP26A1, CYP1A1, GPBAR1 NPC1 1236/4885RAB9A 2136/4885SMN1; SMN2 2732/4885

“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.