SCHEMBL4985506

SCHEMBL4985506

COc1ccc(C)cc1S(=O)(=O)N1CCc2[c]nc(C(N)=O)nc2C1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
USP2 O75604 2/20 0.50
GAA P10253 1/20 0.50
TSHR P16473 3/20 0.47
MAPK1 P28482 3/20 0.47
ALDH1A1 P00352 2/20 0.43
PKM P14618 1/20 0.43
POLB P06746 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RAB9A P51151 2/20 0.41
HSD17B10 Q99714 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.39

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
SCHEMBL4982938 0.91 KMT2A (0.48) KMT2AUSP2TSHRALDH1A1L3MBTL1
SCHEMBL4992075 0.86 CYP3A4 (0.53) KMT2AUSP2GAATSHRMAPK1
SCHEMBL4992491 0.85 MAPT (0.40) KMT2AMAPK1ALDH1A1PKML3MBTL1
SCHEMBL4988327 0.82 GBA1 (0.48) KMT2AGAAALDH1A1PKMLMNA
SCHEMBL4985355 0.81 EPHX2 (0.37) KMT2AMAPK1ALDH1A1L3MBTL1
SCHEMBL4991959 0.80 CD4 (0.38) KMT2AMAPK1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL4987011 0.80 PKM (0.46) KMT2AUSP2GAATSHRALDH1A1
SCHEMBL4988175 0.79 AKR1C3 (0.47) KMT2AGAATSHRMAPK1ALDH1A1
SCHEMBL4988235 0.79 MAPT (0.38) KMT2AMAPK1ALDH1A1POLBRAB9A
SCHEMBL5142573 0.79 KMT2A (0.56) 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.