SCHEMBL416705

SCHEMBL416705

CNCc1ccccc1N1CCC(O)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 2/20 0.41
F10 P00742 2/20 0.41
MAPT P10636 1/20 0.40
TPH1 P17752 1/20 0.40
CSF1R P07333 1/20 0.39
KMT2A Q03164 3/20 0.39
FABP3 P05413 1/20 0.39
FABP4 P15090 1/20 0.39
MEN1 O00255 2/20 0.38
USP2 O75604 1/20 0.38
GAA P10253 1/20 0.38
PIK3CB P42338 1/20 0.37
SMARCA2 P51531 1/20 0.37
SMARCA4 P51532 1/20 0.37
PBRM1 Q86U86 1/20 0.37
NCF1 P14598 1/20 0.37

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
SCHEMBL22957823 0.86 MEN1 (0.54) F10MAPTCSF1RKMT2AMEN1
SCHEMBL12408093 0.85 KMT2A (0.52) LIPGF10CSF1RKMT2A
SCHEMBL16814907 0.83 CARM1 (0.54)
SCHEMBL16814998 0.82 TPH1 (0.42) LIPGF10TPH1KMT2AMEN1
SCHEMBL16814966 0.81 GAA (0.51) LIPGF10MAPTKMT2AMEN1
SCHEMBL6224150 0.80 F10 (0.45) LIPGF10KMT2AFABP3FABP4
SCHEMBL16573967 0.80 LIPG (0.52) LIPGMAPTKMT2AFABP3FABP4
SCHEMBL3127155 0.79 BRD4 (0.53) MAPTKMT2AMEN1GAA
SCHEMBL16814993 0.79 NCF1 (0.54) F10MAPTTPH1CSF1RKMT2A
SCHEMBL414567 0.79 NCF1 (0.58) NCF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165309-A1 HETERO RING DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-28 US disclosed
US-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2012-01-26 US disclosed
EP-2397479-A1 HETERO RING DERIVATIVE Astellas Pharma Inc. (JP) 2011-12-21 EP disclosed
EP-2376431-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2011-10-19 EP disclosed
WO-2010092962-A1 HETERO RING DERIVATIVE アステラス製薬株式会社 (JP) 2010-08-19 WO disclosed
WO-2010066847-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS CELLVIR (FR) 2010-06-17 WO disclosed
EP-2196453-A1 Novel substituted aryl derivatives, their process of preparation and their therapeutical uses as anti-HIV agents Cellvir (FR) 2010-06-16 EP 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 (2 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-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS HAVCR2, MAVS, EIF2AK2 LIPG 1391/4885F10 4510/4885MAPT 3216/4885
US-20120165309-A1 HETERO RING DERIVATIVE IL2, PIK3R2, IL2RA LIPG 2189/4885F10 3947/4885MAPT 3968/4885

“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.