SCHEMBL164458

SCHEMBL164458

N#Cc1cc(Cl)ccc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.52
CYP3A4 P08684 5/20 0.52
ALOX15 P16050 3/20 0.52
ALDH1A1 P00352 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
TP53 P04637 1/20 0.44
CYP2A6 P11509 1/20 0.44
VCAM1 P19320 1/20 0.44
HPGD P15428 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
CYP1A2 P05177 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALOX12 P18054 2/20 0.41
MAPK1 P28482 2/20 0.41
HSD17B10 Q99714 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
SCHEMBL29462390 1.00 TSHR (0.52) TSHRCYP3A4ALOX15ALDH1A1SMN1; SMN2
SCHEMBL3274518 0.84 MCL1 (0.51) TSHRCYP3A4ALOX15ALDH1A1SMN1; SMN2
SCHEMBL166558 0.82 TSHR (0.52) TSHRCYP3A4ALOX15ALDH1A1SMN1; SMN2
SCHEMBL28967097 0.81 SMN1; SMN2 (0.56) TSHRCYP3A4ALOX15ALDH1A1SMN1; SMN2
Ammonia Solution, Strong SCHEMBL28847255 0.80 TSHR (0.50) TSHRCYP3A4ALOX15ALDH1A1SMN1; SMN2
SCHEMBL5360561 0.79 CYP3A4 (0.48) TSHRCYP3A4ALOX15ALDH1A1SMN1; SMN2
SCHEMBL8388704 0.79 AR (0.56) CYP3A4ALDH1A1SMN1; SMN2HPGDKDM4E
SCHEMBL4168666 0.79 KDM4E (0.55) ALDH1A1HPGDKDM4EMAOBGAA
SCHEMBL20565736 0.79 MAOA (0.72) CYP3A4ALDH1A1TDP1CYP2A6HPGD
SCHEMBL7050401 0.78 MAOA (0.61) CYP3A4ALDH1A1TDP1CYP2A6VCAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114380718-B Acylation method of aniline compound 河南农业大学 2022-09-30 CN claimed
CN-114380718-A Acylation method of aniline compound 河南农业大学 2022-04-22 CN claimed
CN-114031566-A Preparation method of stable isotope labeled diazepam internal standard reagent 谱同生物医药科技(常州)有限公司 2022-02-11 CN claimed
CN-113549078-A Preparation method of stable isotope labeled alprazolam and estazolam internal standard reagent 谱同生物医药科技(常州)有限公司 2021-10-26 CN claimed
CN-113549022-A Preparation method of stable isotope labeled oxazepam internal standard reagent 谱同生物医药科技(常州)有限公司 2021-10-26 CN claimed
CN-112920128-A Novel method for synthesizing D5-diazepam 成都大学 2021-06-08 CN claimed
CN-108640919-B Matrine derivative and sophoridine derivative containing aryl amidine or aminoquinoline structure and preparation method thereof 广西大学 2020-09-08 CN claimed
CN-106946800-B A kind of synthetic method of -2,4 (1H, 3H)-diketone of quinazoline and its derivative 华东师范大学 2019-11-15 CN claimed
CN-108640919-A The matrine derivative and Sophoridine derivative and preparation method thereof of amidine containing aryl or aminoquinoline structure 广西大学 2018-10-12 CN claimed
CN-106946800-A A kind of synthetic method of (1H, the 3H) diketone of quinazoline 2,4 and its derivative 华东师范大学 2017-07-14 CN claimed
EP-4714953-A1 MELANOCORTIN 2-TYPE RECEPTOR ANTAGONIST Scohia Pharma, Inc. (JP) 2026-03-25 EP disclosed
US-12540248-B2 Metal surface-treating agent, and metal material with coating film and method for manufacturing same NIHON PARKERIZING CO., LTD. (JP) 2026-02-03 US disclosed
US-20250376443-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION (US) 2025-12-11 US disclosed
US-20250368604-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION (US) 2025-12-04 US disclosed
EP-3927685-B1 A PROCESS FOR THE SYNTHESIS ANTHRANILIC DIAMIDE COMPOUNDS AND INTERMEDIATES THEREOF PI INDUSTRIES LTD (IN) 2025-10-08 EP disclosed
US-3950321-A POLYESTERS BASF AKTIENGESELLSCHAFT (DT) 1976-04-13 US disclosed
US-3945991-A Heterocyclic azo compounds containing a quaternated hydrazide group CIBA-GEIGY AG (CH) 1976-03-23 US disclosed
US-3945989-A Fluoro triazine containing water insoluble azo dyestuff CIBA-GEIGY AG (CH) 1976-03-23 US disclosed
US-3943120-A WATER INSOLUBLE CIBA-GEIGY AG (CH) 1976-03-09 US disclosed
US-3933786-A Heterocyclic-azo-phenyl compounds containing a styrl group CIBA-GEIGY AG (CH) 1976-01-20 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 (3 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-12540248-B2 Metal surface-treating agent, and metal material with coating film and method for manufacturing same VMA21, CARM1, CROCC TSHR 1756/4885CYP3A4 3843/4885ALOX15 2760/4885
US-20250368604-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 TSHR 3558/4885CYP3A4 4677/4885ALOX15 3974/4885
US-20250376443-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 TSHR 3460/4885CYP3A4 4700/4885ALOX15 4053/4885

“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.