SCHEMBL4087507

SCHEMBL4087507

Nc1cc(Cl)cc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
TSHR P16473 3/20 0.50
CYP3A4 P08684 3/20 0.50
HSD17B10 Q99714 2/20 0.50
NR4A2 P43354 2/20 0.50
HPGD P15428 1/20 0.50
KEAP1 Q14145 1/20 0.50
HPRT1 P00492 1/20 0.47
CYP2A6 P11509 2/20 0.44
HTT P42858 2/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
RAD52 P43351 1/20 0.41
ALOX15 P16050 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HIF1A Q16665 1/20 0.41
CYP1B1 Q16678 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL29410299 1.00 ALDH1A1 (0.50) ALDH1A1TSHRCYP3A4HSD17B10NR4A2
SCHEMBL29843346 1.00 ALDH1A1 (0.50) ALDH1A1TSHRCYP3A4HSD17B10NR4A2
SCHEMBL2153752 0.76 ALDH1A1 (0.54) ALDH1A1TSHRCYP3A4HSD17B10HPGD
SCHEMBL29487594 0.76 ALDH1A1 (0.54) ALDH1A1TSHRCYP3A4HSD17B10HPGD
SCHEMBL30366335 0.76 CYP2A6 (0.54) ALDH1A1TSHRHSD17B10CYP2A6HTT
SCHEMBL5024019 0.76 CYP2A6 (0.54) ALDH1A1TSHRHSD17B10CYP2A6HTT
SCHEMBL31179229 0.76 CYP3A4 (0.54) ALDH1A1TSHRCYP3A4HSD17B10NR4A2
SCHEMBL4083992 0.76 CYP3A4 (0.54) ALDH1A1TSHRCYP3A4HSD17B10NR4A2
SCHEMBL31157796 0.74 ALDH1A1 (0.52) ALDH1A1TSHRCYP3A4HSD17B10HPGD
SCHEMBL5383334 0.74 HPRT1 (0.54) ALDH1A1TSHRCYP3A4HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114790139-A Method for synthesizing 2-chloro-4-fluorobenzoic acid by taking 2-chloro-4-amino bromobenzene as raw material 江苏中旗科技股份有限公司 2022-07-26 CN claimed
CN-108530365-A 1,4- naphthoquinones/anthraquinone imdazole derivatives and its preparation and use 上海交通大学 2018-09-14 CN claimed
US-6590100-B2 Reacting an aromatic compound bearing a leaving group and an arylboronic acid and/or its derivatives in the presence of a base and an effective amount of a nickel catalyst RHODIA CHIMIE (FR) 2003-07-08 US claimed
US-20020173652-A1 Process for preparing a polyaromatic compound SHASUN PHARMA SOLUTIONS, INC. 2002-11-21 US claimed
US-20240174650-A1 8-(PICOLINAMIDE) SUBSTITUTED COUMARIN COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF LONGIVITRON (SUZHOU) BIOTECHNOLOGY CO., LTD (CN) 2024-05-30 US disclosed
EP-4303219-A1 8-(PICOLINAMIDE) SUBSTITUTED COUMARIN COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF Longivitron (Suzhou) Biotechnology Co., Ltd (CN) 2024-01-10 EP disclosed
CN-112334463-B Compound and organic light emitting device comprising the same 株式会社LG化学 2023-09-01 CN disclosed
CN-112939955-B 8- (pyridine amide) substituted coumarin compound and preparation method and application thereof 朗捷睿(苏州)生物科技有限公司 2022-10-21 CN disclosed
WO-2022183963-A1 8-(PICOLINAMIDE) SUBSTITUTED COUMARIN COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 朗捷睿(苏州)生物科技有限公司 2022-09-09 WO disclosed
CN-112939955-A 8- (pyridine amide) substituted coumarin compound and preparation method and application thereof 朗捷睿(苏州)生物科技有限公司 2021-06-11 CN disclosed
US-10793584-B2 Naphthobischalcogenadiazole derivative and production method therefor OSAKA UNIVERSITY (JP) 2020-10-06 US disclosed
US-20190337966-A1 NAPHTHOBISCHALCOGENADIAZOLE DERIVATIVE AND PRODUCTION METHOD THEREFOR OSAKA UNIVERSITY (JP) 2019-11-07 US disclosed
EP-1689737-B1 BETA-LACTAMS FOR THE TREATMENT OF CNS DISORDERS GLAXO GROUP LTD (GB) 2008-07-16 EP disclosed
US-20060281738-A1 2-Naphthylimino-1,3-thiazine derivative SHIONOGI AND CO., LTD. (JP) 2006-12-14 US disclosed
CN-1878764-A Beta-lactams for treatment of cns disorders GLAXO GROUP LTD (GB) 2006-12-13 CN disclosed
CN-1863784-A 2-naphthylimino-1,3-thiazine derivative SHIONOGI & CO (JP) 2006-11-15 CN disclosed
EP-1689737-A1 BETA-LACTAMS FOR THE TREATMENT OF CNS DISORDERS GLAXO GROUP LIMITED (GB) 2006-08-16 EP disclosed
WO-2005049600-A1 BETA-LACTAMS FOR TREATMENT OF CNS DISORDERS GLAXO GROUP LIMITED (GB) 2005-06-02 WO disclosed
US-6590100-B2 Reacting an aromatic compound bearing a leaving group and an arylboronic acid and/or its derivatives in the presence of a base and an effective amount of a nickel catalyst RHODIA CHIMIE (FR) 2003-07-08 US disclosed
US-20020173652-A1 Process for preparing a polyaromatic compound SHASUN PHARMA SOLUTIONS, INC. 2002-11-21 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 (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-10793584-B2 Naphthobischalcogenadiazole derivative and production method therefor CYP24A1, CYP26B1, CYP21A2 ALDH1A1 600/4885TSHR 1397/4885CYP3A4 389/4885
US-20190337966-A1 NAPHTHOBISCHALCOGENADIAZOLE DERIVATIVE AND PRODUCTION METHOD THEREFOR CYP24A1, CYP26B1, CYP21A2 ALDH1A1 600/4885TSHR 1397/4885CYP3A4 389/4885
US-20240174650-A1 8-(PICOLINAMIDE) SUBSTITUTED COUMARIN COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF SIRT2, SIRT1, SIRT7 ALDH1A1 1100/4885TSHR 2996/4885CYP3A4 1635/4885
US-20060281738-A1 2-Naphthylimino-1,3-thiazine derivative NPM1, OXTR, CYP2S1 ALDH1A1 1571/4885TSHR 440/4885CYP3A4 95/4885
US-20020173652-A1 Process for preparing a polyaromatic compound PAH, ALK, ITPA ALDH1A1 2981/4885TSHR 4264/4885CYP3A4 370/4885

“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.