SCHEMBL2998669

SCHEMBL2998669

ClCc1ccc(-c2nc3ccccc3o2)cc1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.71
KDM4E B2RXH2 1/20 0.71
ALDH1A1 P00352 1/20 0.71
TP53 P04637 1/20 0.71
HPGD P15428 1/20 0.71
SMN1; SMN2 Q16637 1/20 0.71
HSD17B10 Q99714 1/20 0.71
MEN1 O00255 1/20 0.63
RAB9A P51151 1/20 0.63
KMT2A Q03164 1/20 0.63
ATM Q13315 1/20 0.63
BCHE P06276 1/20 0.57
MMP2 P08253 1/20 0.55
MMP9 P14780 1/20 0.55
MMP8 P22894 1/20 0.55
MMP13 P45452 1/20 0.55

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
SCHEMBL5182011 0.86 NPC1 (0.76) NPC1KDM4EALDH1A1TP53HPGD
SCHEMBL31170 0.86 NPC1 (0.81) NPC1KDM4EALDH1A1TP53HPGD
Methane SCHEMBL29265168 0.84 NPC1 (0.79) NPC1KDM4EALDH1A1TP53HPGD
SCHEMBL31476 0.84 NPC1 (0.79) NPC1KDM4EALDH1A1TP53HPGD
SCHEMBL3421338 0.83 NPC1 (0.71) NPC1KDM4EALDH1A1TP53HPGD
SCHEMBL3373866 0.83 NPC1 (0.71) NPC1KDM4EALDH1A1TP53HPGD
SCHEMBL11701224 0.83 NPC1 (0.71) NPC1KDM4EALDH1A1TP53HPGD
SCHEMBL4907802 0.83 NPC1 (0.71) NPC1KDM4EALDH1A1TP53HPGD
SCHEMBL1660541 0.83 NPC1 (1.00) NPC1KDM4EALDH1A1TP53HPGD
SCHEMBL10849065 0.83 HSD17B10 (0.57) NPC1KDM4EALDH1A1TP53HPGD

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114933440-B Pervious concrete additive and pervious concrete 宁波新力建材科技有限公司 2022-11-08 CN claimed
CN-114933440-A Pervious concrete additive and pervious concrete 宁波新力建材科技有限公司 2022-08-23 CN claimed
US-4264709-A ETHYLENICALLY UNSATURATED MONOMERS EASTMAN KODAK COMPANY (US) 1981-04-28 US claimed
CN-114933440-B Pervious concrete additive and pervious concrete 宁波新力建材科技有限公司 2022-11-08 CN disclosed
CN-114933440-B Pervious concrete additive and pervious concrete 宁波新力建材科技有限公司 2022-11-08 CN disclosed
CN-114933440-A Pervious concrete additive and pervious concrete 宁波新力建材科技有限公司 2022-08-23 CN disclosed
CN-114933440-A Pervious concrete additive and pervious concrete 宁波新力建材科技有限公司 2022-08-23 CN disclosed
US-10053428-B2 5-aminotetrahydroquinoline-2-carboxylic acids and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-08-21 US disclosed
US-20170260139-A1 NOVEL 5-AMINOTETRAHYDROQUINOLINE-2-CARBOXYLIC ACIDS AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-14 US disclosed
US-9695331-B2 Silicon-containing (meth) acrylate compounds ARKEMA FRANCE (FR) 2017-07-04 US disclosed
EP-2875003-B1 NEW 5-AMINOTETRAHYDROQUINOLINE-2-CARBOXYLIC ACIDS UND THEIR USE Bayer Pharma AG (DE) 2016-11-16 EP disclosed
WO-2000044732-A1 PROCESS FOR THE PREPARATION OF 4,4'-BIS(2-BENZOXAZOLYL)STILBENES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-08-03 WO disclosed
US-4585875-A FROM 4-CHLOROMETHYL BENZOIC IMIDO ESTER HOECHST AKTIENGESELLSCHAFT (DE) 1986-04-29 US disclosed
EP-0019182-B1 BENZOFURAN DERIVATIVES AND THEIR USE AS OPTICAL BRIGHTENERS BAYER AG (DE) 1982-07-07 EP disclosed
US-4289887-A OPTICAL BRIGHTENERS BAYER AKTIENGESELLSCHAFT (DE) 1981-09-15 US disclosed
EP-0033459-A1 Benzoxazolylstilbenes, processes for their production and their use as optical brighteners BAYER AG (DE) 1981-08-12 EP disclosed
US-4264709-A ETHYLENICALLY UNSATURATED MONOMERS EASTMAN KODAK COMPANY (US) 1981-04-28 US disclosed
EP-0019182-A1 Benzofuran derivatives and their use as optical brighteners BAYER AG (DE) 1980-11-26 EP disclosed
US-4158658-A Bichromophoric benzoxazole-styrene ultraviolet stabilizers and their use in organic compositions EASTMAN KODAK COMPANY (US) 1979-06-19 US disclosed
US-4075162-A BICHROMOPHORIC BENZOXAZOLE-STYRENE ULTRAVIOLET STABILIZERS AND THEIR USE IN ORGANIC COMPOSITIONS EASTMAN KODAK COMPANY (US) 1978-02-21 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-10053428-B2 5-aminotetrahydroquinoline-2-carboxylic acids and their use TNNT2, TNNI3, FABP3 NPC1 1352/4885KDM4E 3842/4885ALDH1A1 684/4885
US-20170260139-A1 NOVEL 5-AMINOTETRAHYDROQUINOLINE-2-CARBOXYLIC ACIDS AND THEIR USE TNNT2, TNNI3, FABP3 NPC1 1442/4885KDM4E 3868/4885ALDH1A1 679/4885

“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.