SCHEMBL6094601

SCHEMBL6094601

Nc1ccccc1C(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.65
GAA P10253 1/20 0.65
PTGS1 P23219 5/20 0.60
SRD5A2 P31213 2/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
P2RX1 P51575 1/20 0.51
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
NPC1 O15118 1/20 0.50
CRHBP P24387 1/20 0.50
RAB9A P51151 1/20 0.50
CRHR2 Q13324 1/20 0.50
CYP2C8 P10632 1/20 0.49
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
ESRRA P11474 1/20 0.46

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
SCHEMBL31329329 1.00 MAPT (0.65) MAPTGAAPTGS1SRD5A2CA1
SCHEMBL8374908 0.85 MAPT (0.87) MAPTGAACA1CA2CA9
SCHEMBL1173269 0.85 P2RX1 (0.61) MAPTGAAPTGS1CA1CA2
SCHEMBL28765131 0.82 PTGS1 (0.57) PTGS1SRD5A2CES2CES1HTT
SCHEMBL5347968 0.82 PTGS1 (0.59) MAPTGAAPTGS1SRD5A2P2RX1
SCHEMBL3486347 0.81 MAPT (0.61) MAPTGAAPTGS1SRD5A2P2RX1
SCHEMBL3542735 0.81 MAPT (0.67) MAPTPTGS1SRD5A2CES2CES1
SCHEMBL10396396 0.81 RECQL (0.53) MAPTPTGS1SRD5A2P2RX1CES2
SCHEMBL8362275 0.81 SRD5A2 (0.55) GAAPTGS1SRD5A2CES2CES1
SCHEMBL38533242 0.81 AKR1C3 (0.66) SRD5A2CA1CA2CA9CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110606839-B Green synthesis method of polysubstituted quinazoline derivative 南方医科大学 2021-10-08 CN claimed
US-7001901-B2 Tetrazolylpropionamides as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-21 US disclosed
US-20040082568-A1 Central nervous system disorders; Alzheimer's disease BRISTOL-MYERS SQUIBB COMPANY 2004-04-29 US disclosed
EP-0076017-B1 PHENYL SUBSTITUTED PYRIDO(1,4)BENZODIAZEPINES AND INTERMEDIATES THEREFOR A.H. ROBINS COMPANY, INCORPORATED (US) 1990-08-16 EP disclosed
US-4668675-A ANTIDEPRESSANTS A. H. ROBINS COMPANY, INCORPORATED (US) 1987-05-26 US disclosed
US-4556667-A (2-((AMINOPYRIDINYL)AMINO)PHENYL)ARYLMETHANONE INTERMEDIATES A. H. ROBINS COMPANY, INCORPORATED (US) 1985-12-03 US disclosed
US-4495183-A ANTIULCER AGENTS- GASTROLINTESTINAL DISORDERS A. H. ROBINS COMPANY, INCORPORATED (US) 1985-01-22 US disclosed
US-4447361-A ANTIDEPRESSANT A. H. ROBINS COMPANY, INC. (US) 1984-05-08 US disclosed
EP-0076017-A2 Phenyl substituted pyrido(1,4)benzodiazepines and intermediates therefor A.H. ROBINS COMPANY, INCORPORATED (US) 1983-04-06 EP disclosed
US-4313949-A Method of producing an inhibitory effect on blood platelet aggregation A. H. ROBINS COMPANY, INC. (US) 1982-02-02 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 (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-20040082568-A1 Central nervous system disorders; Alzheimer's disease APP, APBA1, DNPEP MAPT 62/4885GAA 1088/4885PTGS1 1223/4885

“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.