SCHEMBL1136008

SCHEMBL1136008

CCCOc1ccc(F)cc1NC(=CC(=O)O)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX1 Q96LB2 5/20 0.41
▸ CREBBP Q92793 1/20 0.41
▸ HTT P42858 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ NLRP1 Q9C000 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ KDM4E B2RXH2 4/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ NR1I2 O75469 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ TSPO P30536 1/20 0.38
▸ HPGD P15428 1/20 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
SCHEMBL1136006 1.00 MRGPRX1 (0.41) MRGPRX1CREBBPHTTMAPTALDH1A1
SCHEMBL1136127 0.83 MRGPRX1 (0.48) MRGPRX1CREBBPHTTMAPTALDH1A1
SCHEMBL27799953 0.76 MRGPRX1 (0.49) MRGPRX1CREBBPHTTMAPTALDH1A1
SCHEMBL7959141 0.69 PTPN11 (0.51) MAPTALDH1A1PKMKMT2AHSD17B10
SCHEMBL27778853 0.68 MRGPRX1 (0.40) MRGPRX1CREBBPHTTMAPTALDH1A1
SCHEMBL27567990 0.67 CYP1A2 (0.49) MRGPRX1ALDH1A1LMNANPC1RAB9A
SCHEMBL18914159 0.66 MAPT (0.48) HTTMAPTALDH1A1CYP1A2CYP2C9
SCHEMBL955203 0.66 KDM4E (0.53) HTTALDH1A1KDM4EKMT2AGAA
SCHEMBL955201 0.66 KDM4E (0.53) HTTALDH1A1KDM4EKMT2AGAA
SCHEMBL7649272 0.66 CA9 (0.51) HTTMAPTALDH1A1LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160304461-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-10-20 — — US disclosed
US-9403773-B2 Quinolone compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-02 — — US disclosed
US-20150218101-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-08-06 — — US disclosed
US-9045464-B2 Quinolone compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-06-02 — — US disclosed
US-20140121207-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-05-01 — — US disclosed
US-8642619-B2 Quinolone compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-02-04 — — US disclosed
US-20120316168-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-12-13 — — US disclosed
US-8269011-B2 Quinolone compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-09-18 — — US disclosed
EP-2152699-B1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMA CO LTD (JP) 2011-02-23 — — EP disclosed
US-20100130546-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-05-27 — — US disclosed
EP-2152699-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION Otsuka Pharmaceutical Co., Ltd. (JP) 2010-02-17 — — EP disclosed
WO-2008150029-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-12-11 — — 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 (5 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-20120316168-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 MRGPRX1 555/4885CREBBP 733/4885HTT 30/4885
US-20140121207-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 MRGPRX1 555/4885CREBBP 733/4885HTT 30/4885
US-20160304461-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 MRGPRX1 555/4885CREBBP 733/4885HTT 30/4885
US-20100130546-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 MRGPRX1 555/4885CREBBP 733/4885HTT 30/4885
US-20150218101-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 MRGPRX1 555/4885CREBBP 733/4885HTT 30/4885

“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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