SCHEMBL10169776

SCHEMBL10169776

CC(=O)c1ccc(Cl)c([N+](=O)[O-])c1C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.38
MEN1 O00255 2/20 0.38
VCAM1 P19320 1/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 3/20 0.37
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
AKR1B1 P15121 1/20 0.37
RORC P51449 1/20 0.37
DHODH Q02127 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
SCHEMBL27935928 0.86 KMT2A (0.39) KMT2AMEN1VCAM1NPC1RAB9A
SCHEMBL15131962 0.86 KMT2A (0.40) KMT2AMAPTMAPK1MEN1VCAM1
SCHEMBL306135 0.86 TSHR (0.51) KMT2AMEN1VCAM1NPC1RAB9A
SCHEMBL4175674 0.83 KMT2A (0.40) KMT2AMAPTMAPK1MEN1VCAM1
SCHEMBL3107602 0.82 TSHR (0.50) KMT2AMAPTMAPK1TSHRALDH1A1
SCHEMBL7047802 0.82 ALDH1A1 (0.48) KMT2AMAPTMAPK1MEN1RAB9A
SCHEMBL305861 0.82 MEN1 (0.49) KMT2AMAPTMEN1SMN1; SMN2TSHR
SCHEMBL7840604 0.81 KMT2A (0.40) KMT2AMAPTMAPK1MEN1VCAM1
SCHEMBL10487636 0.80 SMN1; SMN2 (0.47) KMT2AMAPTMAPK1MEN1CA12
SCHEMBL12702875 0.79 KMT2A (0.40) KMT2AMAPTMAPK1MEN1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093265-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2012-01-10 US disclosed
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2011-04-21 US disclosed
US-20080287415-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2008-11-20 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 (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-20080287415-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 KMT2A 4670/4885MAPT 4416/4885MAPK1 584/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 KMT2A 4614/4885MAPT 4477/4885MAPK1 546/4885

“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.