SCHEMBL827753

SCHEMBL827753

Cc1cc(Cl)cc2[nH]ccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 8/20 0.50
ALDH1A1 P00352 2/20 0.50
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
AHR P35869 2/20 0.45
CMA1 P23946 1/20 0.45
F7 P08709 1/20 0.41
LTA4H P09960 1/20 0.41
F3 P13726 1/20 0.41
NR4A2 P43354 1/20 0.41
LMNA P02545 1/20 0.39
AXL P30530 1/20 0.39
PRKCI P41743 1/20 0.39
AURKA O14965 1/20 0.38
TPX2 Q9ULW0 1/20 0.38
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36

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
SCHEMBL1294597 0.78 RXFP1 (0.47) ALDH1A1TP53SMN1; SMN2AHRLMNA
SCHEMBL29713811 0.78 RXFP1 (0.47) ALDH1A1TP53SMN1; SMN2AHRLMNA
SCHEMBL29531208 0.78 RHEB (0.58) RHEBALDH1A1AHRCMA1F7
SCHEMBL1022450 0.78 RHEB (0.58) RHEBALDH1A1AHRCMA1F7
SCHEMBL31735582 0.77 RHEB (0.47) RHEBALDH1A1AHRCMA1AURKA
SCHEMBL24037999 0.75 ALDH1A1 (0.37) RHEBALDH1A1TP53SMN1; SMN2AHR
SCHEMBL5704871 0.75 RHEB (0.54) RHEBALDH1A1SMN1; SMN2AHRCMA1
SCHEMBL1019021 0.75 AHR (0.45) ALDH1A1AHRAURKAHPGDALOX15
SCHEMBL12113048 0.75 ALDH1A1 (0.37) RHEBALDH1A1TP53SMN1; SMN2AHR
SCHEMBL1019925 0.75 AHR (0.45) RHEBALDH1A1AHRNR4A2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023116594-A1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海安诺达生物科技有限公司 2023-06-29 WO disclosed
US-11193065-B2 Liquid crystal composition, method of producing the same, and retardation film constituted from the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-12-07 US disclosed
US-11186589-B2 Cyanoindoline derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-11-30 US disclosed
US-20210032267-A1 CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2021-02-04 US disclosed
EP-3478673-B1 CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2020-09-16 EP disclosed
US-20200165519-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION AND RETARDATION PLATE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2020-05-28 US disclosed
US-20190276744-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-09-12 US disclosed
US-10407619-B2 Liquid crystal composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-09-10 US disclosed
US-10336938-B2 Liquid crystal composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-07-02 US disclosed
US-20170335191-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-23 US disclosed
US-5187283-A Reacting indole(or derivatives) with organic hydroperoxide in presence of group 4,5 or 6 metals and removing water during reaction MITSUI TOATSU CHEMICALS, INC. (JP) 1993-02-16 US disclosed
EP-0487322-A1 Process for the preparation of indigo compounds MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-05-27 EP disclosed
US-5112987-A Process for the preparation of indigo compounds MITSUI TOATSU CHEMICALS, INC. (JP) 1992-05-12 US disclosed
US-4992556-A Reacting indole compound with organic hydroperoxide MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1991-02-12 US disclosed
US-4973706-A OXIDATION OF INDOLE WITH HYDROPEROXIDE MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1990-11-27 US disclosed
US-4966977-A PEROXIDATION OF INDOLE COMPOUND MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1990-10-30 US disclosed
EP-0368508-A2 Process for the preparation of indigo compounds MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-05-16 EP disclosed
EP-0339887-A1 Process for the preparation of indigo compounds MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-11-02 EP disclosed
EP-0335524-A2 Process for the preparation of indigo compounds MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-10-04 EP disclosed
EP-0330419-A2 Process for the preparation of indigo compound MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-08-30 EP 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 (4 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-20170335191-A1 LIQUID CRYSTAL COMPOSITION RCC1, CCDC47, ACIN1 RHEB 2204/4885ALDH1A1 4362/4885TP53 489/4885
US-20210032267-A1 CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS MAP3K14, NFKBIA, MAP3K15 RHEB 1446/4885ALDH1A1 4311/4885TP53 939/4885
US-10407619-B2 Liquid crystal composition RCC1, CCDC47, ACIN1 RHEB 2204/4885ALDH1A1 4362/4885TP53 489/4885
US-11186589-B2 Cyanoindoline derivatives as NIK inhibitors MAP3K14, NFKBIA, MAP3K15 RHEB 1446/4885ALDH1A1 4311/4885TP53 939/4885

“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.