SCHEMBL4696380

SCHEMBL4696380

CC(C)(N)CNc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.61
ALDH1A1 P00352 3/20 0.52
RECQL P46063 1/20 0.52
HSD17B10 Q99714 1/20 0.52
KDM4E B2RXH2 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.48
GLA P06280 2/20 0.48
PTPRF P10586 1/20 0.46
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN11 Q06124 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
HPGD P15428 3/20 0.46
ALOX12 P18054 2/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
IDO1 P14902 1/20 0.44

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
SCHEMBL14594045 0.90 MAPT (0.61) MAPTALDH1A1RECQLHSD17B10KDM4E
SCHEMBL4617831 0.86 MAPT (0.65) MAPTALDH1A1RECQLHSD17B10KDM4E
SCHEMBL12932899 0.86 MAPT (0.65) MAPTALDH1A1RECQLHSD17B10KDM4E
SCHEMBL10511962 0.83 MAPT (0.62) MAPTALDH1A1RECQLHSD17B10KDM4E
SCHEMBL7508194 0.83 MAPT (0.61) MAPTALDH1A1RECQLHSD17B10KDM4E
SCHEMBL5154859 0.80 MAPT (0.53) MAPTALDH1A1RECQLHSD17B10KDM4E
SCHEMBL4332876 0.78 MAPT (0.54) MAPTALDH1A1RECQLHSD17B10KDM4E
SCHEMBL11124580 0.77 MAPT (0.71) MAPTALDH1A1RECQLHSD17B10KDM4E
SCHEMBL6700260 0.76 RAB9A (0.60) MAPTALDH1A1SMN1; SMN2ALOX12MEN1
SCHEMBL5415323 0.76 MAPT (0.56) MAPTALDH1A1RECQLHSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3020717-B1 P2X4 RECEPTOR ANTAGONIST NIPPON CHEMIPHAR CO (JP) 2021-12-15 EP disclosed
US-9873683-B2 P2X4 receptor antagonist NIPPON CHEMIPHAR CO., LTD (JP) 2018-01-23 US disclosed
US-9840497-B2 2017-12-12 US disclosed
US-20160244434-A1 P2X4 RECEPTOR ANTAGONIST NIPPON CHEMIPHAR CO., LTD. (JP) 2016-08-25 US disclosed
EP-3020717-A1 P2X4 RECEPTOR ANTAGONIST Nippon Chemiphar Co., Ltd. (JP) 2016-05-18 EP disclosed
EP-2681221-B1 TRICYCLIC INHIBITORS OF KINASES ABBVIE INC (US) 2016-05-18 EP disclosed
US-8710065-B2 Tricyclic inhibitors of kinases ABBVIE INC. (US) 2014-04-29 US disclosed
EP-2681221-A1 TRICYCLIC INHIBITORS OF KINASES AbbVie Inc. (US) 2014-01-08 EP disclosed
WO-2012161812-A1 TRICYCLIC INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2012-11-29 WO disclosed
US-20120220572-A1 TRICYCLIC INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2012-08-30 US disclosed
EP-1963273-A2 SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2008-09-03 EP disclosed
WO-2007075783-A2 SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITOR WYETH (US) 2007-07-05 WO disclosed
US-20040180925-A1 Dipeptidylpeptidase-IV inhibitor KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-09-16 US disclosed
EP-1354882-A1 DIPEPTIDYL PEPTIDASE IV INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-10-22 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 (3 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-20160244434-A1 P2X4 RECEPTOR ANTAGONIST P2RX1, P2RX7, P2RX2 MAPT 4667/4885ALDH1A1 2123/4885RECQL 1300/4885
US-20120220572-A1 TRICYCLIC INHIBITORS OF KINASES WEE1, WEE2, CDK1 MAPT 2484/4885ALDH1A1 2764/4885RECQL 938/4885
US-20040180925-A1 Dipeptidylpeptidase-IV inhibitor DPP4, DPP3, DPP9 MAPT 3376/4885ALDH1A1 925/4885RECQL 4374/4885

“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.