SCHEMBL15828633

SCHEMBL15828633

CC(C)(C)c1cc([N+](=O)[O-])c2[nH]cnc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.40
NAMPT P43490 1/20 0.40
XDH P47989 1/20 0.40
GPR35 Q9HC97 1/20 0.39
ALDH1A1 P00352 4/20 0.37
PARP1 P09874 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
GLA P06280 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP3 P42574 1/20 0.35
HTT P42858 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
PDPK1 O15530 1/20 0.34
F2 P00734 1/20 0.33
MAPT P10636 1/20 0.33
NPBWR1 P48145 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL11869664 0.85 ALDH1A1 (0.50) CYP3A4NAMPTXDHALDH1A1PARP1
SCHEMBL9959976 0.76 CYP3A4 (0.42) CYP3A4NAMPTXDHGPR35ALDH1A1
SCHEMBL20801721 0.76 CYP3A4 (0.40) CYP3A4NAMPTXDHALDH1A1PARP1
SCHEMBL15756184 0.75 POLB (0.38) CYP3A4ALDH1A1PARP1MAPK1PDPK1
SCHEMBL30665177 0.73 CYP3A4 (0.40) CYP3A4NAMPTXDHPARP1NPC1
SCHEMBL15828618 0.73 MAPT (0.53) CYP3A4GPR35ALDH1A1NPC1RAB9A
SCHEMBL15756185 0.72 MAPT (0.36) PARP1PDPK1MAPT
SCHEMBL15828639 0.72 MAPT (0.36) XDHALDH1A1PARP1NPC1RAB9A
SCHEMBL2990287 0.72 CA2 (0.51) CYP3A4NAMPTXDHALDH1A1PARP1
SCHEMBL26938392 0.70 GPR35 (0.39) CYP3A4GPR35ALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210032207-A1 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-02-04 US disclosed
US-20200055823-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2020-02-20 US disclosed
US-20170362180-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2017-12-21 US disclosed
US-20170362180-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2017-12-21 US disclosed
US-20160340314-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2016-11-24 US disclosed
US-20160340314-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2016-11-24 US disclosed
US-9440951-B2 Quinolone compound OTSUKA PHARMACEUTICAL CO., LTD (JP) 2016-09-13 US disclosed
US-9440951-B2 Quinolone compound OTSUKA PHARMACEUTICAL CO., LTD (JP) 2016-09-13 US disclosed
US-20150239865-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2015-08-27 US disclosed
US-20150239865-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2015-08-27 US disclosed
US-9067887-B2 Quinolone compound OTSUKA PHARMACEUTICAL CO., LTD (JP) 2015-06-30 US disclosed
US-9067887-B2 Quinolone compound OTSUKA PHARMACEUTICAL CO., LTD (JP) 2015-06-30 US disclosed
US-20150005287-A2 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-01-01 US disclosed
US-20150005287-A2 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-01-01 US disclosed
US-20140179675-A1 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-06-26 US disclosed
US-20140179675-A1 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-06-26 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 (7 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-20150239865-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 CYP3A4 192/4885NAMPT 2991/4885XDH 76/4885
US-20170362180-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 CYP3A4 192/4885NAMPT 2991/4885XDH 76/4885
US-20200055823-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 CYP3A4 192/4885NAMPT 2991/4885XDH 76/4885
US-20160340314-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 CYP3A4 192/4885NAMPT 2991/4885XDH 76/4885
US-20150005287-A2 QUINOLONE COMPOUND HAX1, NQO2, VIP CYP3A4 219/4885NAMPT 3104/4885XDH 68/4885
US-20140179675-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 CYP3A4 192/4885NAMPT 2991/4885XDH 76/4885
US-20210032207-A1 QUINOLONE COMPOUND HAX1, NQO2, CXCR1 CYP3A4 180/4885NAMPT 2368/4885XDH 96/4885

“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.