SCHEMBL5451331

SCHEMBL5451331

O=C(Cc1ccc(F)cc1F)c1ccc(I)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.44
RAB9A P51151 2/20 0.41
PTPN1 P18031 1/20 0.41
NPC1 O15118 1/20 0.41
MAPK8 P45983 1/20 0.40
GRIN2B Q13224 1/20 0.39
IDO1 P14902 2/20 0.39
AGXT P21549 2/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
RIPK1 Q13546 2/20 0.38
P2RX7 Q99572 1/20 0.38
TPMT P51580 1/20 0.37
HTR7 P34969 1/20 0.37
PLOD2 O00469 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL7259829 0.90 RAB9A (0.50) MAOBRAB9APTPN1NPC1MAPK8
SCHEMBL966965 0.83 SIGMAR1 (0.46) MAOBRAB9APTPN1NPC1MAPK8
SCHEMBL7263857 0.81 CES2 (0.47) MAOBMAPK8IDO1AGXTCES2
SCHEMBL7265238 0.80 ALDH1A1 (0.49) MAOBRAB9ATPMTALDH1A1LMNA
SCHEMBL12218359 0.77 MAPK8 (0.52) RAB9ANPC1MAPK8MEN1ALDH1A1
SCHEMBL5643140 0.77 EPHX2 (0.54) MAOBMEN1KMT2A
SCHEMBL375135 0.76 KMT2A (0.41) MAOBMAPK8GRIN2BIDO1AGXT
SCHEMBL16257133 0.75 IDO1 (0.46) MAOBMAPK8IDO1AGXTCES2
SCHEMBL8724147 0.75 GRIN2B (0.40) MAOBRAB9AGRIN2BCES2CES1
SCHEMBL1288294 0.75 IDO1 (0.48) MAOBMAPK8IDO1AGXTCES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070027115-A1 Triazole derivatives useful in therapy PFIZER INC. 2007-02-01 US disclosed
US-6977302-B2 Triazole derivatives useful in therapy AGOURON PHARMACEUTICALS, INC. (US) 2005-12-20 US disclosed
US-20050130940-A1 Triazole derivatives useful in therapy PFIZER INC. 2005-06-16 US disclosed
US-20040236105-A1 Triazole derivatives useful in therapy PFIZER, INC. 2004-11-25 US disclosed
US-6790957-B2 CONVERTING TERTIARY HYDROXY GROUP OF A TRIAZOLE ANTIFUNGAL COMPOUND INTO A PHOSPHATE GROUP TO IMPROVE AQUEOUS SOLUBILITY PFIZER, INC. 2004-09-14 US disclosed
US-20030144250-A1 Triazole derivatives useful in therapy GREEN STUART (GB) 2003-07-31 US disclosed
EP-0835252-B1 TRIAZOLE ANTIFUNGAL AGENTS PFIZER RES & DEV (IE) 2003-07-30 EP disclosed
EP-0880533-B1 Triazole derivatives useful in therapy PFIZER RES & DEV (IE) 2002-06-12 EP disclosed
US-6376526-B1 FOR HUANS, ANIMALS PFIZER INC. 2002-04-23 US disclosed
EP-0796858-B1 Triazole antifungal agents PFIZER LTD (GB) 2000-11-02 EP disclosed
US-6124325-A Triazole antifungal agents PFIZER INC. (US) 2000-09-26 US disclosed
US-6015825-A Triazole antifungal agents PFIZER INC. (US) 2000-01-18 US disclosed
US-5981560-A 1,2,4-TRIAZOLE FUNGICIDES PFIZER INC. (US) 1999-11-09 US disclosed
EP-0880533-A1 TRIAZOLE DERIVATIVES USEFUL IN THERAPY Pfizer Research and Development Company, N.V./S.A. (IE) 1998-12-02 EP disclosed
EP-0835252-A1 TRIAZOLE ANTIFUNGAL AGENTS Pfizer Research and Development Company, N.V./S.A. (IE) 1998-04-15 EP disclosed
EP-0796858-A1 Triazole antifungal agents Pfizer Limited (GB) 1997-09-24 EP disclosed
WO-1997028169-A1 TRIAZOLE DERIVATIVES USEFUL IN THERAPY PFIZER RESEARCH AND DEVELOPMENT COMPANY, N.V./S.A. (IE) 1997-08-07 WO disclosed
WO-1997001552-A1 TRIAZOLE ANTIFUNGAL AGENTS PFIZER RESEARCH AND DEVELOPMENT COMPANY, N.V./S.A. (IE) 1997-01-16 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 (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-20050130940-A1 Triazole derivatives useful in therapy ERG28, CYP51A1, THOP1 MAOB 944/4885RAB9A 3498/4885PTPN1 356/4885
US-20070027115-A1 Triazole derivatives useful in therapy ERG28, CYP51A1, THOP1 MAOB 944/4885RAB9A 3498/4885PTPN1 356/4885
US-20030144250-A1 Triazole derivatives useful in therapy CYP51A1, THOP1, ERG28 MAOB 725/4885RAB9A 3400/4885PTPN1 184/4885
US-20040236105-A1 Triazole derivatives useful in therapy CYP51A1, ERG28, THOP1 MAOB 396/4885RAB9A 4034/4885PTPN1 482/4885

“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.