SCHEMBL15910567

SCHEMBL15910567

CCn1cc2c(C)cc([N+](=O)[O-])cc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
MAPT P10636 6/20 0.49
POLB P06746 3/20 0.49
GPR35 Q9HC97 1/20 0.41
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ATM Q13315 1/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
TSHR P16473 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 2/20 0.37
NFKB1 P19838 2/20 0.37
NFKB2 Q00653 2/20 0.37
RELA Q04206 2/20 0.37
LMNA P02545 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37
SENP8 Q96LD8 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
SCHEMBL18896263 0.75 MAPT (0.66) ALDH1A1MAPTPOLBKDM4EL3MBTL1
SCHEMBL20719544 0.73 KDM4E (0.34) ALDH1A1POLBKDM4EL3MBTL1TSHR
SCHEMBL18638439 0.72 MAPT (0.50) ALDH1A1MAPTPOLBKDM4EL3MBTL1
SCHEMBL3656023 0.69 ALDH1A1 (0.48) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL15910619 0.68 ALDH1A1 (0.45) ALDH1A1MAPTPOLBGPR35L3MBTL1
SCHEMBL15910992 0.67 NQO2 (0.43) ALDH1A1MAPTPOLBKDM4EL3MBTL1
SCHEMBL22573203 0.66 ALDH1A1 (0.38) ALDH1A1MAPTKDM4EL3MBTL1ATM
SCHEMBL18463627 0.66 ALDH1A1 (0.52) ALDH1A1MAPTPOLBKDM4EL3MBTL1
SCHEMBL10657258 0.66 ALDH1A1 (0.45) ALDH1A1MAPTPOLBGPR35KDM4E
SCHEMBL20719035 0.65 HTT (0.33) ALDH1A1L3MBTL1SMN1; SMN2LMNAHTT

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-9145414-B2 1,2,4-triazine-6-carboxamide derivative TAIHO PHARMACEUTICAL CO., LTD. (JP) 2015-09-29 US disclosed
US-20140343038-A1 1,2,4-TRIAZINE-6-CARBOXAMIDE DERIVATIVE TAIHO PHARMACEUTICAL CO., LTD. (JP) 2014-11-20 US disclosed
EP-2762476-A1 1,2,4-TRIAZINE-6-CARBOXAMIDE DERIVATIVE Taiho Pharmaceutical Co., Ltd. (JP) 2014-08-06 EP 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-20140343038-A1 1,2,4-TRIAZINE-6-CARBOXAMIDE DERIVATIVE SYK, BTK, JAK2 ALDH1A1 3232/4885MAPT 4663/4885POLB 4824/4885

“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.