SCHEMBL630285

SCHEMBL630285

N[CH]Cc1ccnc(C(N)=O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.42
CYP4A11 Q02928 2/20 0.42
LOXL2 Q9Y4K0 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
TSHR P16473 1/20 0.39
MC4R P32245 1/20 0.39
ADRA1A P35348 1/20 0.39
MC3R P41968 1/20 0.39
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRE P78334 1/20 0.38

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
SCHEMBL6020571 0.85 CYP4F2 (0.41) CYP4F2CYP4A11LOXL2ADORA3TSHR
SCHEMBL2642856 0.82 CYP4F2 (0.44) CYP4F2CYP4A11LOXL2ADORA3TSHR
SCHEMBL2328151 0.80 RECQL (0.50) CYP4F2CYP4A11LOXL2ADORA3TSHR
SCHEMBL20377228 0.80 CYP4F2 (0.45) CYP4F2CYP4A11LOXL2ADORA3TSHR
SCHEMBL30193091 0.80 RECQL (0.50) CYP4F2CYP4A11LOXL2ADORA3TSHR
SCHEMBL2176535 0.80 LOXL2 (0.56) CYP4F2CYP4A11LOXL2ADORA3TSHR
SCHEMBL4016509 0.79 CYP4F2 (0.44) CYP4F2CYP4A11LOXL2ADORA3TSHR
SCHEMBL19211551 0.79 CYP4F2 (0.44) CYP4F2CYP4A11LOXL2ADORA3TSHR
Hydrochloric Acid SCHEMBL5013437 0.79 LOXL2 (0.55) CYP4F2CYP4A11LOXL2ADORA3TSHR
SCHEMBL2677778 0.79 SMYD3 (0.54) CYP4F2CYP4A11LOXL2ADORA3TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778637-B1 FKBP-binding composition and pharmaceutical use thereof AVENTIS PHARMA INC (US) 2012-02-22 EP claimed
US-20080139556-A1 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2008-06-12 US claimed
EP-1778637-A2 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF Aventis Pharmaceuticals, Inc. (US) 2007-05-02 EP claimed
WO-2006012256-A2 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2006-02-02 WO claimed
US-7777042-B2 N-sulfonylpipecolic acid derivative FKBP binding composition and pharmaceutical use thereof AVENTIS PHARMACEUTICALS INC. (US) 2010-08-17 US disclosed
US-20080139556-A1 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2008-06-12 US disclosed
EP-1778637-A2 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF Aventis Pharmaceuticals, Inc. (US) 2007-05-02 EP disclosed
WO-2006012256-A2 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2006-02-02 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 (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-20080139556-A1 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF FKBP1A, FKBP1B, FKBP3 CYP4F2 1792/4885CYP4A11 2299/4885LOXL2 3986/4885

“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.