SCHEMBL7926077

SCHEMBL7926077

c1ccc(Nc2ccc3c(c2)OCO3)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.58
NPC1 O15118 6/20 0.57
RAB9A P51151 6/20 0.57
HPGD P15428 1/20 0.57
PTGS2 P35354 2/20 0.55
ALOX15 P16050 2/20 0.54
HSD17B10 Q99714 2/20 0.54
DHODH Q02127 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
ALDH1A1 P00352 3/20 0.53
MAPT P10636 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
GAA P10253 1/20 0.53
POLB P06746 1/20 0.53
PKM P14618 1/20 0.53
ADRA2A P08913 1/20 0.51
PAX8 Q06710 1/20 0.51
KLF5 Q13887 1/20 0.51
TSHR P16473 2/20 0.50

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
SCHEMBL1920755 0.92 NPC1 (0.60) NPC1RAB9AHPGDALOX15HSD17B10
SCHEMBL378949 0.90 SMN1; SMN2 (0.62) NPC1RAB9AHPGDALOX15HSD17B10
SCHEMBL657416 0.89 KDM1A (0.62) NPC1RAB9AHPGDPTGS2ALOX15
SCHEMBL1921386 0.86 CLK1 (0.55) NPC1RAB9APTGS2ALOX15HSD17B10
SCHEMBL1122280 0.85 NPC1 (0.55) EGFRNPC1RAB9APTGS2ALOX15
SCHEMBL1920761 0.85 NPC1 (0.54) EGFRNPC1RAB9AHPGDPTGS2
SCHEMBL21933258 0.83 CYP19A1 (0.59) NPC1RAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL15363908 0.82 EGFR (0.56) EGFRNPC1RAB9AHPGDALOX15
SCHEMBL7925274 0.82 NPSR1 (0.55) NPC1RAB9AHPGDALOX15HSD17B10
SCHEMBL3502973 0.82 MEN1 (0.61) NPC1RAB9APTGS2ALOX15HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190177265-A1 METHOD FOR COUPLING A FIRST COMPOUND TO A SECOND COMPOUND DOW AGROSCIENCES LLC (US) 2019-06-13 US disclosed
EP-2558446-B1 NOVEL COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS AC IMMUNE SA (CH) 2019-06-12 EP disclosed
US-20170210695-A1 METHOD FOR COUPLING A FIRST COMPOUND TO A SECOND COMPOUND DOW AGROSCIENCES LLC 2017-07-27 US disclosed
EP-2688870-B1 HETEROCYCLIC AMINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-02-01 EP disclosed
US-20160158242-A1 Novel Compounds for the Treatment of Diseases Associated with Amyloid or Amyloid-Like Proteins AC IMMUNE SA (CH) 2016-06-09 US disclosed
US-20160158242-A1 Novel Compounds for the Treatment of Diseases Associated with Amyloid or Amyloid-Like Proteins AC IMMUNE SA (CH) 2016-06-09 US disclosed
WO-2016057770-A1 METHOD FOR COUPLING A FLUOROSULFONATE COMPOUND WITH AN AMINE COMPOUND DOW GLOBAL TECHNOLOGIES LLC (US) 2016-04-14 WO disclosed
US-9221812-B2 Compounds for the treatment of diseases associated with amyloid or amyloid-like proteins AC IMMUNE SA (CH) 2015-12-29 US disclosed
US-9221812-B2 Compounds for the treatment of diseases associated with amyloid or amyloid-like proteins AC IMMUNE SA (CH) 2015-12-29 US disclosed
US-20110280808-A1 Novel Compounds for the Treatment of Diseases Associated with Amyloid or Amyloid-Like Proteins AC IMMUNE, S.A. (CH) 2011-11-17 US disclosed
US-20110280808-A1 Novel Compounds for the Treatment of Diseases Associated with Amyloid or Amyloid-Like Proteins AC IMMUNE, S.A. (CH) 2011-11-17 US disclosed
WO-2011128455-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS AC IMMUNE S.A. (CH) 2011-10-20 WO disclosed
US-6228547-B1 CHARGE TRANSFER COMPOUNDS TAKASAGO INTERNATIONAL CORPORATION (JP) 2001-05-08 US 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 (4 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-20190177265-A1 METHOD FOR COUPLING A FIRST COMPOUND TO A SECOND COMPOUND PAICS, NUDT21, TIAL1 EGFR 2530/4885NPC1 950/4885RAB9A 880/4885
US-20170210695-A1 METHOD FOR COUPLING A FIRST COMPOUND TO A SECOND COMPOUND PAICS, NUDT21, TIAL1 EGFR 2530/4885NPC1 950/4885RAB9A 880/4885
US-20110280808-A1 Novel Compounds for the Treatment of Diseases Associated with Amyloid or Amyloid-Like Proteins APP, PSEN1, PSEN2 EGFR 3704/4885NPC1 430/4885RAB9A 2613/4885
US-20160158242-A1 Novel Compounds for the Treatment of Diseases Associated with Amyloid or Amyloid-Like Proteins APP, PSEN1, PSEN2 EGFR 3704/4885NPC1 430/4885RAB9A 2613/4885

“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.