SCHEMBL15829350

SCHEMBL15829350

CC(C)(C)c1ccc2[nH]cc([N+](=O)[O-])c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1D P28221 7/20 0.49
▸ HTR1B P28222 3/20 0.47
▸ HTR1A P08908 1/20 0.47
▸ KIF11 P52732 1/20 0.41
▸ MAPK1 P28482 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ SENP8 Q96LD8 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ SENP6 Q9GZR1 1/20 0.41
▸ LMNA P02545 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ ATM Q13315 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ MEN1 O00255 2/20 0.38
▸ PKM P14618 2/20 0.38

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
SCHEMBL31006022 0.79 TSHR (0.52) HTR1DRAB9AALDH1A1LMNAMAPT
SCHEMBL24214820 0.76 GPR84 (0.50) HTR1AMAPTATMMEN1KMT2A
SCHEMBL15792482 0.76 GPR84 (0.50) HTR1AMAPK1ATMTDP1KMT2A
SCHEMBL15792293 0.76 F7 (0.51) MAPK1PKMPOLB
SCHEMBL4492051 0.75 CYP1A2 (0.55) HTR1DHTR1BHTR1ARAB9AALDH1A1
SCHEMBL29085139 0.75 ALDH1A1 (0.44) MAPK1HTTALDH1A1LMNAMAPT
SCHEMBL25240518 0.74 MAPT (0.43) KIF11MAPK1HTTALDH1A1GLA
SCHEMBL12012499 0.73 HTR1D (0.57) HTR1DHTR1BHTR1AKIF11ALDH1A1
SCHEMBL12012858 0.73 HTR1D (0.57) HTR1DHTR1BHTR1AKIF11ALDH1A1
SCHEMBL21341623 0.72 HTR1D (0.69) HTR1DHTR1BHTR1AKIF11

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 10 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-20190077762-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2019-03-14 — — 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-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-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-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 (8 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 HTR1D 639/4885HTR1B 1400/4885HTR1A 945/4885
US-20170362180-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 HTR1D 639/4885HTR1B 1400/4885HTR1A 945/4885
US-20200055823-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 HTR1D 639/4885HTR1B 1400/4885HTR1A 945/4885
US-20160340314-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 HTR1D 639/4885HTR1B 1400/4885HTR1A 945/4885
US-20150005287-A2 QUINOLONE COMPOUND HAX1, NQO2, VIP HTR1D 731/4885HTR1B 1512/4885HTR1A 1035/4885
US-20190077762-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 HTR1D 606/4885HTR1B 1354/4885HTR1A 952/4885
US-20140179675-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 HTR1D 639/4885HTR1B 1400/4885HTR1A 945/4885
US-20210032207-A1 QUINOLONE COMPOUND HAX1, NQO2, CXCR1 HTR1D 671/4885HTR1B 1476/4885HTR1A 958/4885

“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.

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