SCHEMBL5023569

SCHEMBL5023569

Cc1ccc(Oc2ccccc2Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.51
HTR2A P28223 3/20 0.51
LMNA P02545 1/20 0.50
XIAP P98170 1/20 0.49
L3MBTL1 Q9Y468 4/20 0.48
HTT P42858 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPK1 P28482 1/20 0.48
DPP4 P27487 1/20 0.46
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
MAPT P10636 3/20 0.44
NPC1 O15118 2/20 0.44
HPGD P15428 2/20 0.44
RAB9A P51151 2/20 0.44
TEAD4 Q15561 1/20 0.43
KCNH2 Q12809 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
SCN5A Q14524 1/20 0.43
SCN9A Q15858 1/20 0.43

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
SCHEMBL7176453 0.89 DPP4 (0.53) SLC6A4LMNAXIAPL3MBTL1HTT
SCHEMBL11795870 0.88 XIAP (0.48) SLC6A4HTR2ALMNAXIAPHTT
SCHEMBL2608310 0.84 HTT (0.65) SLC6A4HTR2ALMNAL3MBTL1HTT
SCHEMBL14649873 0.83 L3MBTL1 (0.61) SLC6A4LMNAXIAPL3MBTL1HTT
SCHEMBL9321769 0.83 HTR2A (0.53) SLC6A4HTR2AXIAPL3MBTL1HTT
Ethane SCHEMBL27569819 0.83 DPP4 (0.58) SLC6A4LMNAXIAPL3MBTL1HTT
SCHEMBL3790160 0.82 DPP4 (0.62) SLC6A4LMNAXIAPL3MBTL1HTT
SCHEMBL14649862 0.81 TLR8 (0.54) SLC6A4HTR2ALMNAXIAPL3MBTL1
Ammonia Solution, Strong SCHEMBL4267774 0.80 DPP4 (0.60) SLC6A4LMNAXIAPL3MBTL1ALDH1A1
SCHEMBL11585106 0.80 ALDH1A1 (0.60) SLC6A4HTR2ALMNAL3MBTL1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024105364-A1 HETEROCYCLIC INHIBITORS OF CDC-LIKE KINASES CURADEV PHARMA LTD (GB) 2024-05-23 WO disclosed
WO-2021061929-A1 BICYCLIC CARBOXYLATES AS MODULATORS OF TRANSPORTERS AND USES THEREOF Nirogy Therapeutics, Inc. (US) 2021-04-01 WO disclosed
EP-2871180-B1 2-AMINONICOTINIC ACID ESTER DERIVATIVE AND BACTERICIDE CONTAINING SAME AS ACTIVE INGREDIENT AGRO KANESHO CO LTD (JP) 2018-03-21 EP disclosed
US-9096528-B2 2-aminonicotinic acid ester derivative and bactericide containing same as active ingredient AGRO-KANESHO CO., LTD. (JP) 2015-08-04 US disclosed
US-20150175551-A1 2-AMINONICOTINIC ACID ESTER DERIVATIVE AND BACTERICIDE CONTAINING SAME AS ACTIVE INGREDIENT AGRO-KANESHO CO., LTD. (JP) 2015-06-25 US disclosed
US-20150175551-A1 2-AMINONICOTINIC ACID ESTER DERIVATIVE AND BACTERICIDE CONTAINING SAME AS ACTIVE INGREDIENT AGRO-KANESHO CO., LTD. (JP) 2015-06-25 US disclosed
CN-102712202-A Heat-sensitive lithographic printing plate and printing method thereof MITSUBISHI PAPER MILLS LTD 2012-10-03 CN disclosed
US-8178490-B2 Polybasic bacterial efflux pump inhibitors and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2012-05-15 US disclosed
US-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-06-17 US disclosed
WO-2007113327-A2 FUNGICIDE N-CYCLOPROPYL-SULFONYLAMIDE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2007-10-11 WO disclosed
US-4203145-A Chloro-diphenyl BAYER AKTIENGESELLSCHAFT (DE) 1980-05-13 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-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCB1, SLC47A1 SLC6A4 1283/4885HTR2A 4677/4885LMNA 3488/4885
US-20150175551-A1 2-AMINONICOTINIC ACID ESTER DERIVATIVE AND BACTERICIDE CONTAINING SAME AS ACTIVE INGREDIENT HDHD5, BCAT1, ACMSD SLC6A4 1305/4885HTR2A 334/4885LMNA 1901/4885

“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.