SCHEMBL4985509

SCHEMBL4985509

COc1ccc(C)cc1S(=O)(=O)N1CCc2c(N)ncnc2C1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
USP2 O75604 2/20 0.56
GAA P10253 1/20 0.56
TSHR P16473 4/20 0.53
MAPK1 P28482 2/20 0.50
ALDH1A1 P00352 3/20 0.47
PKM P14618 1/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
RECQL P46063 1/20 0.45
HSD17B10 Q99714 1/20 0.44
HMOX1 P09601 1/20 0.43
POLB P06746 2/20 0.42
MEN1 O00255 1/20 0.42
MCOLN3 Q8TDD5 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL4982944 0.90 KMT2A (0.53) KMT2AUSP2GAATSHRALDH1A1
SCHEMBL4992497 0.83 MAPK1 (0.44) KMT2AMAPK1ALDH1A1PKMRECQL
SCHEMBL4992079 0.83 CYP3A4 (0.58) USP2TSHRMAPK1ALDH1A1PKM
SCHEMBL4988330 0.80 CD4 (0.50) GAAALDH1A1PKMRAB9APOLB
SCHEMBL5142573 0.79 KMT2A (0.56) KMT2AUSP2GAATSHRMAPK1
SCHEMBL4985357 0.79 CTSG (0.41) KMT2ATSHRMAPK1ALDH1A1RAB9A
SCHEMBL4991964 0.78 CD4 (0.39) KMT2AMEN1
SCHEMBL4987016 0.77 PKM (0.51) TSHRALDH1A1PKMRAB9ANPC1
SCHEMBL13532412 0.77 KMT2A (0.44) KMT2AUSP2GAATSHRMAPK1
SCHEMBL14272442 0.77 TSHR (0.48) KMT2AUSP2GAATSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2008-02-14 US claimed

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-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 KMT2A 4614/4885USP2 4733/4885GAA 4179/4885

“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.