SCHEMBL4268650

SCHEMBL4268650

CCOC(=O)c1cc(Oc2ccccc2)ccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
PTGS2 P35354 2/20 0.49
GAA P10253 1/20 0.49
USP10 Q14694 1/20 0.48
TDP1 Q9NUW8 2/20 0.47
HPGD P15428 3/20 0.47
POLB P06746 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
GALR2 O43603 1/20 0.47
MITF O75030 1/20 0.47
LMNA P02545 1/20 0.47
HSP90AA1 P07900 1/20 0.47
XBP1 P17861 1/20 0.47
CCR6 P51684 1/20 0.47
TSHR P16473 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46

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
SCHEMBL10790681 0.90 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2USP10TDP1HPGD
SCHEMBL10789604 0.90 USP10 (0.57) ALDH1A1SMN1; SMN2GAAUSP10TDP1
SCHEMBL10789597 0.86 USP10 (0.46) ALDH1A1SMN1; SMN2GAAUSP10TDP1
SCHEMBL10789577 0.85 USP10 (0.45) ALDH1A1SMN1; SMN2GAAUSP10TDP1
SCHEMBL2724028 0.85 TDP1 (0.62) ALDH1A1SMN1; SMN2TDP1HPGDPOLB
SCHEMBL28134455 0.84 MEN1 (0.57) HSP90AA1L3MBTL1MAPTMEN1KMT2A
SCHEMBL21395564 0.84 LMNA (0.56) ALDH1A1SMN1; SMN2GAAUSP10TDP1
SCHEMBL21707869 0.84 MAPT (0.58) ALDH1A1SMN1; SMN2GAAUSP10TDP1
SCHEMBL10785520 0.83 MAPT (0.52) ALDH1A1SMN1; SMN2GAAUSP10TDP1
SCHEMBL3889423 0.82 MEN1 (0.55) TDP1POLBSIRT6KDM4ECYP1A2

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
EP-2935221-B1 QUINOLONE DERIVATIVES CADILA HEALTHCARE LTD (IN) 2018-02-07 EP disclosed
CN-104903295-B Carbostyril derivative 卡迪拉保健有限公司 2017-09-01 CN disclosed
US-9394300-B2 Quinolone derivatives CADILA HEALTHCARE LIMITED (IN) 2016-07-19 US disclosed
EP-2935221-A1 NOVEL QUINOLONE DERIVATIVES Cadila Healthcare Limited (IN) 2015-10-28 EP disclosed
US-20150299193-A1 NOVEL QUINOLONE DERIVATIVES CADILA HEALTHCARE LIMITED (IN) 2015-10-22 US disclosed
WO-2014102818-A1 NOVEL QUINOLONE DERIVATIVES CADILA HEALTHCARE LIMITED (IN) 2014-07-03 WO disclosed
US-7569725-B2 2-[(3-chloro-4-hydroxybenzoyl)amino]-N-[2-(2-methoxyphenyl)ethyl]-5-phenoxybenzamide; therapeutic use as anti-cancer agents, as well as other therapeutic agents, for example, as anti-fertility agents BRITSOL-MYERS SQUIBB COMPANY (US) 2009-08-04 US disclosed
US-7569725-B2 2-[(3-chloro-4-hydroxybenzoyl)amino]-N-[2-(2-methoxyphenyl)ethyl]-5-phenoxybenzamide; therapeutic use as anti-cancer agents, as well as other therapeutic agents, for example, as anti-fertility agents BRITSOL-MYERS SQUIBB COMPANY (US) 2009-08-04 US disclosed
US-7569725-B2 2-[(3-chloro-4-hydroxybenzoyl)amino]-N-[2-(2-methoxyphenyl)ethyl]-5-phenoxybenzamide; therapeutic use as anti-cancer agents, as well as other therapeutic agents, for example, as anti-fertility agents BRITSOL-MYERS SQUIBB COMPANY (US) 2009-08-04 US disclosed
US-20060135619-A1 2-[(3-chloro-4-hydroxybenzoyl)amino]-N-[2-(2-methoxyphenyl)ethyl]-5-phenoxybenzamide; therapeutic use as anti-cancer agents, as well as other therapeutic agents, for example, as anti-fertility agents BRISTOL-MYERS SQUIBB COMPANY 2006-06-22 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 (2 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-20150299193-A1 NOVEL QUINOLONE DERIVATIVES NQO2, UGT1A1, CYP11B2 ALDH1A1 2214/4885SMN1; SMN2 3982/4885PTGS2 848/4885
US-20060135619-A1 2-[(3-chloro-4-hydroxybenzoyl)amino]-N-[2-(2-methoxyphenyl)ethyl]-5-phenoxybenzamide; therapeutic use as anti-cancer agents, as well as other therapeutic agents, for example, as anti-fertility agents NASP, BRDT, ACR ALDH1A1 506/4885SMN1; SMN2 3983/4885PTGS2 1441/4885

“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.