SCHEMBL2616482

SCHEMBL2616482

CC(C)(C)C(=O)Nc1ccnc(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 9/20 0.60
SMARCA4 P51532 8/20 0.60
AR P10275 3/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
NPSR1 Q6W5P4 1/20 0.49
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.46
LCK P06239 1/20 0.44
CTSL P07711 1/20 0.44
PTPRC P08575 1/20 0.44
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
CTSS P25774 1/20 0.44
PTPN13 Q12923 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HDAC4 P56524 1/20 0.43

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
SCHEMBL29504176 0.82 AR (0.60) SMARCA2SMARCA4AR
SCHEMBL19695438 0.82 AR (0.60) SMARCA2SMARCA4AR
SCHEMBL19695441 0.82 AR (0.60) SMARCA2SMARCA4AR
SCHEMBL16303153 0.81 SMARCA2 (0.58) SMARCA2SMARCA4ARL3MBTL1NPSR1
SCHEMBL31434913 0.81 SMARCA2 (0.66) SMARCA2SMARCA4MAPTKDM4EALDH1A1
SCHEMBL4175713 0.81 SMARCA2 (0.66) SMARCA2SMARCA4MAPTKDM4EALDH1A1
SCHEMBL9598470 0.81 SMARCA2 (0.66) SMARCA2SMARCA4ARKDM4EALDH1A1
SCHEMBL1501665 0.81 SMARCA2 (0.57) SMARCA2SMARCA4AR
SCHEMBL9599834 0.80 SMARCA2 (0.86) SMARCA2SMARCA4MAPTALDH1A1
SCHEMBL13015661 0.80 PRKCI (0.59) SMARCA2SMARCA4ARL3MBTL1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101097-A9 ARYL SULFONAMIDES UNGASHE SOLOMON (US) 2012-04-26 US disclosed
US-20110201610-A1 ARYL SULFONAMIDES UNGASHE SOLOMON 2011-08-18 US disclosed
US-20080132510-A1 Imidazolylmethyl and Pyrazolylmethyl Heteroaryl Derivatives NEUROGEN CORPORATION 2008-06-05 US disclosed
US-20080132510-A1 Imidazolylmethyl and Pyrazolylmethyl Heteroaryl Derivatives NEUROGEN CORPORATION 2008-06-05 US disclosed
US-20080132510-A1 Imidazolylmethyl and Pyrazolylmethyl Heteroaryl Derivatives NEUROGEN CORPORATION 2008-06-05 US disclosed
EP-1838152-A2 IMIDAZOLYLMETHYL AND PYRAZOLYLMETHYL HETEROARYL DERIVATIVES NEUROGEN CORPORATION (US) 2007-10-03 EP disclosed
WO-2006078891-A2 IMIDAZOLYLMETHYL AND PYRAZOLYLMETHYL HETEROARYL DERIVATIVES NEUROGEN CORPORATION (US) 2006-07-27 WO disclosed
WO-2006078891-A2 IMIDAZOLYLMETHYL AND PYRAZOLYLMETHYL HETEROARYL DERIVATIVES NEUROGEN CORPORATION (US) 2006-07-27 WO disclosed
US-20030004165-A1 Polyazanaphthalene compounds and pharmaceutical use thereof AJINOMOTO CO. INC (JP) 2003-01-02 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 (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-20080132510-A1 Imidazolylmethyl and Pyrazolylmethyl Heteroaryl Derivatives GABRR3, GABRA3, GABRR1 SMARCA2 3110/4885SMARCA4 3386/4885AR 680/4885
US-20110201610-A1 ARYL SULFONAMIDES CCR2, CCL2, CX3CR1 SMARCA2 1512/4885SMARCA4 1704/4885AR 1055/4885
US-20030004165-A1 Polyazanaphthalene compounds and pharmaceutical use thereof MMP1, TNF, MMP12 SMARCA2 3099/4885SMARCA4 2803/4885AR 1694/4885
US-20120101097-A9 ARYL SULFONAMIDES CCR2, CCL2, CX3CR1 SMARCA2 1512/4885SMARCA4 1704/4885AR 1055/4885

“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.