SCHEMBL95854

SCHEMBL95854

[O]Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.60
ACP3 P15309 1/20 0.59
IDO1 P14902 2/20 0.58
HTR2A P28223 2/20 0.56
HTR2B P41595 2/20 0.56
HTR2C P28335 1/20 0.56
MIF P14174 2/20 0.53
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
DAO P14920 2/20 0.50
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.50
EPHX1 P07099 1/20 0.50
MAOB P27338 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
ADRA2C P18825 1/20 0.49
SLC6A4 P31645 1/20 0.49

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
SCHEMBL18378024 0.83 ACP3 (0.43) TAAR1ACP3IDO1HTR2AHTR2B
SCHEMBL156738 0.83 TAAR1 (0.67) TAAR1ACP3IDO1HTR2AHTR2B
SCHEMBL8069977 0.83 TAAR1 (0.60) TAAR1ACP3IDO1HTR2AHTR2B
SCHEMBL5103155 0.82 TAAR1 (0.64) TAAR1ACP3IDO1HTR2AHTR2B
SCHEMBL3237564 0.82 TAAR1 (0.64) TAAR1ACP3IDO1HTR2AHTR2B
SCHEMBL1045499 0.80 TAAR1 (0.62) TAAR1ACP3IDO1HTR2AHTR2B
SCHEMBL18243098 0.80 ACP3 (0.41) TAAR1ACP3IDO1HTR2AHTR2B
SCHEMBL46757 0.80 HTR2A (0.63) TAAR1ACP3IDO1HTR2AHTR2B
Hydrochloric Acid SCHEMBL2124663 0.80 IDO1 (0.63) TAAR1ACP3IDO1HTR2AHTR2B
SCHEMBL3643679 0.80 TAAR1 (0.62) TAAR1ACP3IDO1HTR2AHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104230826-B 2 fluoro quinazoline cyclics and preparation method thereof and pharmaceutical usage 复旦大学 2017-03-29 CN claimed
CN-103476759-B 4-aryl-N-phenyl-1,3,5-triazines-2-the amine replaced BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-03-16 CN claimed
EP-2495235-B1 Process for the synthesis of prostaglandins and intermediates thereof NEWCHEM S P A (IT) 2015-08-05 EP claimed
CN-102762556-A Imidazo [1,2-a ] pyridine compounds and synthesis and use methods thereof UNIV NOTRE DAME DU LAC 2012-10-31 CN claimed
EP-2496578-A2 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS, SYNTHESIS THEREOF, AND METHODS OF USING SAME University of Notre Dame du Lac (US) 2012-09-12 EP claimed
EP-2495235-A1 Process for the synthesis of prostaglandins and intermediates thereof Newchem S.p.A. (IT) 2012-09-05 EP claimed
US-20120220457-A1 IMIDAZO [1,2-a]PYRIDINE COMPOUNDS, SYNTHESIS THEREOF, AND METHODS OF USING SAME DOW AGROSCIENCES LLC (US) 2012-08-30 US claimed
WO-2011057145-A2 IMIDAZO[1,2-A] PYRIDINE COMPOUNDS, SYNTHESIS THEREOF, AND METHODS OF USING SAME UNIVERSITY OF NOTRE DAME DU LAC (US) 2011-05-12 WO claimed
EP-1115693-B9 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL $i(TERTIARY)-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO CO (US) 2007-12-19 EP claimed
CN-101072561-A Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS INC (US) 2007-11-14 CN claimed
CN-1039415-C Heterocyclic compounds ZENECA LTD (GB) 1998-08-05 CN claimed
US-5684011-A Pyrimidine derivatives useful as nematicides ZENECA LIMITED (GB) 1997-11-04 US claimed
EP-0660827-B1 HETEROCYCLIC COMPOUNDS WITH PARASITICAL ACTIVITY ZENECA LTD (GB) 1997-04-16 EP claimed
US-5451594-A NEMATOCIDES, INSECTICIDES, MITICIDES AND FUNGICIDES ZENECA LIMITED (GB) 1995-09-19 US claimed
EP-0660830-A1 BENZOXAZOLE AND BEZOTHIAZOLE DERIVATIVES ZENECA LIMITED (GB) 1995-07-05 EP claimed
EP-0660827-A1 HETEROCYCLIC COMPOUNDS WIHT PARASITICAL ACTIVITY. ZENECA LTD (GB) 1995-07-05 EP claimed
CN-1098718-A Heterogeneous ring compound ZENECA LTD (GB) 1995-02-15 CN claimed
WO-1994006782-A1 BENZOXAZOLE AND BEZOTHIAZOLE DERIVATIVES ZENECA LIMITED (GB) 1994-03-31 WO claimed
WO-1994006777-A1 HETEROCYCLIC COMPOUNDS WIHT PARASITICAL ACTIVITY ZENECA LIMITED (GB) 1994-03-31 WO claimed
WO-1994006783-A1 BENZOXAZOLE AND BENZOTHIAZOLE DERIVATIVES ZENECA LIMITED (GB) 1994-03-31 WO claimed

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

For each of this compound's patents that has machine-readable text (1 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-20120220457-A1 IMIDAZO [1,2-a]PYRIDINE COMPOUNDS, SYNTHESIS THEREOF, AND METHODS OF USING SAME RIF1, PYCR1, PNMT TAAR1 1610/4885ACP3 400/4885IDO1 10/4885

“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.