SCHEMBL4988600

SCHEMBL4988600

NC(=O)c1n[c]c2c(n1)CN(S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)CC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
TSHR P16473 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
RAB9A P51151 1/20 0.42
LMNA P02545 3/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ADRB2 P07550 1/20 0.39
GPR6 P46095 1/20 0.38
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
MAPT P10636 3/20 0.37
GAA P10253 2/20 0.37
OPRK1 P41145 1/20 0.35
EPHX2 P34913 1/20 0.35
HTR6 P50406 2/20 0.35
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL4986058 0.88 USP2 (0.46) ALDH1A1TSHRKMT2AATML3MBTL1
SCHEMBL4987925 0.85 HDAC6 (0.44) ALDH1A1MEN1KMT2AATML3MBTL1
SCHEMBL4986044 0.85 FAAH (0.39) EPHX2
SCHEMBL4987057 0.84 LMNA (0.44) MEN1KMT2AL3MBTL1LMNAKDM4E
SCHEMBL4991400 0.82 EPHX2 (0.41) ALDH1A1RAB9ALMNASMN1; SMN2EPHX2
SCHEMBL4993426 0.81 KMT2A (0.40) KMT2A
SCHEMBL4989326 0.81 ALDH1A1 (0.38) ALDH1A1KMT2AATML3MBTL1LMNA
SCHEMBL4989307 0.80 ALDH1A1 (0.46) ALDH1A1KMT2AL3MBTL1RAB9AKDM4E
SCHEMBL4982876 0.80 HDAC6 (0.40) ALDH1A1L3MBTL1LMNASMN1; SMN2GAA
SCHEMBL4992334 0.80 CNR1 (0.41) MEN1KMT2AATMLMNASMN1; SMN2

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 ALDH1A1 3640/4885TSHR 3850/4885MEN1 4853/4885

“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.