SCHEMBL5114311

SCHEMBL5114311

COc1ccc(OC(F)(F)F)cc1N

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.63
MAPT P10636 2/20 0.63
MEN1 O00255 1/20 0.63
THRB P10828 1/20 0.63
KMT2A Q03164 1/20 0.63
CYP3A4 P08684 3/20 0.50
L3MBTL1 Q9Y468 3/20 0.49
RAB9A P51151 3/20 0.49
GAA P10253 2/20 0.47
LMNA P02545 2/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 2/20 0.42
APP P05067 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GPR3 P46089 1/20 0.42
NPC1 O15118 2/20 0.41
GMNN O75496 1/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL30768426 0.90 ALDH1A1 (0.56) ALDH1A1MAPTMEN1THRBKMT2A
SCHEMBL24749777 0.90 ALDH1A1 (0.56) ALDH1A1MAPTMEN1THRBKMT2A
SCHEMBL31009457 0.89 MAPT (0.55) ALDH1A1MAPTMEN1THRBKMT2A
SCHEMBL13580995 0.89 MAPT (0.55) ALDH1A1MAPTMEN1THRBKMT2A
SCHEMBL12890142 0.86 ALDH1A1 (0.51) ALDH1A1MAPTMEN1THRBKMT2A
SCHEMBL30573716 0.85 ALDH1A1 (0.63) ALDH1A1MAPTMEN1THRBKMT2A
SCHEMBL26607492 0.85 ALDH1A1 (0.63) ALDH1A1MAPTMEN1THRBKMT2A
SCHEMBL9474451 0.85 ALDH1A1 (0.63) ALDH1A1MAPTMEN1THRBKMT2A
SCHEMBL12422184 0.82 CA12 (0.61) GPR3CYP1A2CYP2C9CA12CA1
SCHEMBL31694901 0.81 MEN1 (0.46) ALDH1A1MAPTMEN1THRBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7335657-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-26 US claimed
US-20060235017-A1 Cytokine Inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-10-19 US claimed
EP-1631567-A2 HETEROCYCLIC N-ARYL CARBOXAMIDES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-03-08 EP claimed
WO-2005016918-A2 HETEROCYCLIC N-ARYL CARBOXAMIDES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-02-24 WO claimed
EP-4676926-A1 BICYCLIC HETEROARYL COMPOUNDS FOR USE AS GPR35 MODULATORS ThirtyFiveBio Limited (GB) 2026-01-14 EP disclosed
WO-2024184650-A1 BICYCLIC HETEROARYL COMPOUNDS FOR USE AS GPR35 MODULATORS. ThirtyFiveBio Limited (GB) 2024-09-12 WO disclosed
US-10913712-B2 Tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2021-02-09 US disclosed
US-20200048193-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. 2020-02-13 US disclosed
EP-3345893-B1 UREA DERIVATIVE AND USE THEREFOR TORAY INDUSTRIES (JP) 2019-10-30 EP disclosed
US-10315992-B2 Tetracyline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2019-06-11 US disclosed
US-10280145-B2 Urea derivative and use therefor TORAY INDUSTRIES, INC. (JP) 2019-05-07 US disclosed
EP-3461809-A1 TETRACYCLINE COMPOUNDS Tetraphase Pharmaceuticals, Inc. (US) 2019-04-03 EP disclosed
US-20040077647-A1 Cytokine inhibitors, antiinflammatory agents BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-04-22 US disclosed
WO-2004014870-A1 FLUORINATED PHENYL-NAPHTHALENYL-UREA COMPOUNDS AS INHIBITORS OF CYTOKINES INVOLVED IN INFLAMMATORY PROCESSES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-02-19 WO disclosed
US-6242494-B1 ANGIOGENESIS INHIBITORS, ANTITUMOR AGENTS, DIABETIC RETINOPATHY, AND ANTIINFLAMMATORY AGENTS ABBOTT LABORATORIES 2001-06-05 US disclosed
WO-1999032454-A9 NITROGEN CONTAINING HETEROAROMATICS WITH ORTHO-SUBSTITUTED P1'S AS FACTOR XA INHIBITORS DU PONT PHARM CO (US) 2001-05-31 WO disclosed
EP-1073633-A2 SUBSTITUTED BETA-AMINO ACID INHIBITORS OF METHIONINE AMINOPEPTIDASE-2 ABBOTT LABORATORIES (US) 2001-02-07 EP disclosed
EP-1042299-A1 NITROGEN CONTAINING HETEROAROMATICS WITH ORTHO-SUBSTITUTED P1'S AS FACTOR XA INHIBITORS Du Pont Pharmaceuticals Company (US) 2000-10-11 EP disclosed
WO-1999057098-A2 SUBSTITUTED BETA-AMINO ACID INHIBITORS OF METHIONINE AMINOPEPTIDASE-2 ABBOTT LABORATORIES (US) 1999-11-11 WO disclosed
WO-1999032454-A1 NITROGEN CONTAINING HETEROAROMATICS WITH ORTHO-SUBSTITUTED P1'S AS FACTOR XA INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1999-07-01 WO 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 (6 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-20040077647-A1 Cytokine inhibitors, antiinflammatory agents IL1B, IL1A, TNF ALDH1A1 252/4885MAPT 3731/4885MEN1 4075/4885
US-10913712-B2 Tetracycline compounds TREH, TUBB, TUBB6 ALDH1A1 2506/4885MAPT 123/4885MEN1 2507/4885
US-10280145-B2 Urea derivative and use therefor UTS2R, DDR1, WEE1 ALDH1A1 1393/4885MAPT 3770/4885MEN1 603/4885
US-20200048193-A1 TETRACYCLINE COMPOUNDS TREH, TUBB, TUBB6 ALDH1A1 2506/4885MAPT 123/4885MEN1 2507/4885
US-10315992-B2 Tetracyline compounds SLC10A1, CYP3A7, TAAR5 ALDH1A1 1796/4885MAPT 195/4885MEN1 1196/4885
US-20060235017-A1 Cytokine Inhibitors IL1B, IL1A, IL1R1 ALDH1A1 1355/4885MAPT 4352/4885MEN1 1869/4885

“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.