SCHEMBL2233738

SCHEMBL2233738

O=[C]c1cc2cc[nH]c2cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.43
MAPT P10636 1/20 0.40
MAOB P27338 4/20 0.40
GPR84 Q9NQS5 1/20 0.38
CYP2A6 P11509 3/20 0.38
IMPDH2 P12268 1/20 0.38
IMPDH1 P20839 1/20 0.38
AHR P35869 3/20 0.37
NR4A2 P43354 2/20 0.37
F7 P08709 1/20 0.37
LTA4H P09960 1/20 0.37
F3 P13726 1/20 0.37
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.37
ALOX15 P16050 1/20 0.37
RAD51 Q06609 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GRM4 Q14833 1/20 0.35
PIK3CD O00329 1/20 0.34
CSNK2A1 P68400 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
SCHEMBL30088200 0.83 IMPDH2 (0.52) HDAC6MAPTMAOBGPR84CYP2A6
SCHEMBL3831376 0.83 IMPDH2 (0.52) HDAC6MAPTMAOBGPR84CYP2A6
SCHEMBL30354467 0.75 USP2 (0.50) HDAC6MAPTMAOBGPR84CYP2A6
SCHEMBL3828889 0.75 USP2 (0.50) HDAC6MAPTMAOBGPR84CYP2A6
Hydrochloric Acid SCHEMBL3824712 0.73 USP2 (0.48) HDAC6MAPTMAOBGPR84CYP2A6
SCHEMBL21090062 0.71 HDAC6 (0.43) HDAC6MAPTMAOBGPR84CYP2A6
SCHEMBL8296659 0.71 CYP2A6 (0.47) HDAC6MAPTMAOBGPR84CYP2A6
SCHEMBL587359 0.71 AHR (0.50) HDAC6MAPTMAOBGPR84CYP2A6
SCHEMBL8664673 0.71 PDPK1 (0.47) HDAC6MAPTMAOBGPR84CYP2A6
SCHEMBL14041127 0.71 GPR84 (0.52) HDAC6MAPTMAOBGPR84CYP2A6

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-20110263642-A1 METHODS FOR TREATMENT OF MULTIPLE SCLEROSIS FIBROGEN, INC. (US) 2011-10-27 US disclosed
EP-2341904-A1 METHODS FOR TREATMENT OF MULTIPLE SCLEROSIS Fibrogen, Inc. (US) 2011-07-13 EP disclosed
WO-2010024908-A1 METHODS FOR TREATMENT OF MULTIPLE SCLEROSIS FIBROGEN, INC. (US) 2010-03-04 WO 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 (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-20110263642-A1 METHODS FOR TREATMENT OF MULTIPLE SCLEROSIS PMP22, MAG, NEFM HDAC6 137/4885MAPT 787/4885MAOB 622/4885

“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.