SCHEMBL4458063

SCHEMBL4458063

CC(Br)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.46
SLC6A4 P31645 11/20 0.46
SLC6A2 P23975 10/20 0.46
SLC6A3 Q01959 9/20 0.46
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP3A4 P08684 6/20 0.41
CYP2D6 P10635 6/20 0.41
KCNH2 Q12809 5/20 0.41
PNMT P11086 1/20 0.41
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
IDO2 Q6ZQW0 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL30457919 0.82 S1PR1 (0.41) AHRSLC6A4SLC6A2SLC6A3CYP3A4
SCHEMBL21821087 0.82 S1PR1 (0.41) AHRSLC6A4SLC6A2SLC6A3CYP3A4
SCHEMBL27810411 0.82 SLC6A2 (0.46) AHRSLC6A4SLC6A2SLC6A3ALDH1A1
SCHEMBL11635848 0.82 CYP3A4 (0.45) SLC6A4SLC6A2SLC6A3ALDH1A1LMNA
SCHEMBL10607615 0.81 ALDH1A1 (0.49) AHRSLC6A4SLC6A2SLC6A3ALDH1A1
SCHEMBL27886399 0.80 SLC6A2 (0.34) SLC6A4SLC6A2SLC6A3ALDH1A1LMNA
SCHEMBL27868723 0.80 APP (0.41) SLC6A4SLC6A2SLC6A3CYP3A4CYP2D6
SCHEMBL27814751 0.80 SLC6A2 (0.45) SLC6A4SLC6A2SLC6A3ALDH1A1LMNA
SCHEMBL254524 0.80 AHR (0.50) AHRSLC6A4SLC6A2SLC6A3ALDH1A1
SCHEMBL10867874 0.78 AHR (0.48) AHRSLC6A4SLC6A2SLC6A3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11708364-B2 Azaindole derivatives and their use as ERK kinase inhibitors AGV DISCOVERY (FR) 2023-07-25 US disclosed
US-11332459-B2 Benzimidazole derivatives and their uses TEIJIN PHARMA LIMITED (JP) 2022-05-17 US disclosed
US-20210221809-A1 AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS AGV Discovery ENSCM (FR) 2021-07-22 US disclosed
US-10995089-B2 Zaindole derivatives and their use as ERK kinase inhibitors AGV DISCOVERY (FR) 2021-05-04 US disclosed
US-20200308145-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USES AMGEN INC. (US) 2020-10-01 US disclosed
US-20200283432-A1 ZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS AGV Discovery ENSCM (FR) 2020-09-10 US disclosed
EP-3377491-B1 AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS AGV DISCOVERY (FR) 2019-11-13 EP disclosed
US-20190031624-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION UNIV RUTGERS (US) 2019-01-31 US disclosed
US-20190031624-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION UNIV RUTGERS (US) 2019-01-31 US disclosed
US-9776995-B2 Bicyclic sulfonamide compounds as sodium channel inhibitors AMGEN INC. (US) 2017-10-03 US disclosed
EP-0868420-B1 3-PYRAZOLECARBOXAMIDE DERIVATIVES HAVING CANNABINOID RECEPTOR AFFINITY SANOFI SYNTHELABO (FR) 2000-03-29 EP disclosed
US-5925768-A ANTIINFLAMMATORY AGENTS; ANALGESICS, ANTICOAGULANTS, NARCOTICS SANOFI (FR) 1999-07-20 US disclosed
EP-0885889-A2 Process for the preparation of pyrazole-3-carboxylic acids SANOFI (FR) 1998-12-23 EP disclosed
EP-0868420-A1 3-PYRAZOLECARBOXAMIDE DERIVATIVES HAVING CANNABINOID RECEPTOR AFFINITY SANOFI (FR) 1998-10-07 EP disclosed
WO-1997021682-A1 3-PYRAZOLECARBOXAMIDE DERIVATIVES HAVING CANNABINOID RECEPTOR AFFINITY SANOFI (FR) 1997-06-19 WO disclosed
US-4633026-A DEHYDROHALOGENATION OF RING-HALOGENATED ALPHA- OR BETA-BROMOETHYL BENZENES WITH STRONG BASE, POLYOXYETHYLENE GLYCOL CATALYST, AMINE POLYMERIZATION INHIBITOR ETHYL CORPORATION (US) 1986-12-30 US disclosed
US-4081596-A DIURETIC, SALURETIC, ANTIHYPERTENSIVE, ANTITHROMBOTIC BAYER AKTIENGESELLSCHAFT (DT) 1978-03-28 US disclosed
US-4005215-A DIURETIC BAYER AKTIENGESELLSCHAFT (DT) 1977-01-25 US disclosed
US-3978077-A DIURETIC, HYPOTENSIVE, ANTITHROMBOTIC BAYER AKTIENGESELLSCHAFT (GB) 1976-08-31 US disclosed
US-3957814-A DIURETICS, SALURETICS, HYPOTENSIVE AGENTS, ANTITHROMBOTIC BAYER AKTIENGESELLSCHAFT (DT) 1976-05-18 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 (7 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-20190031624-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION ABCB11, SLC10A1, SLC47A1 AHR 3695/4885SLC6A4 372/4885SLC6A2 98/4885
US-10995089-B2 Zaindole derivatives and their use as ERK kinase inhibitors MAPKAPK2, MAPK1, MAPK3 AHR 1074/4885SLC6A4 2114/4885SLC6A2 1708/4885
US-20200308145-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USES TRPC6, TRPV6, TRPM6 AHR 2001/4885SLC6A4 229/4885SLC6A2 832/4885
US-11708364-B2 Azaindole derivatives and their use as ERK kinase inhibitors MAPKAPK2, MAPK1, MAPK3 AHR 1288/4885SLC6A4 2247/4885SLC6A2 1318/4885
US-20210221809-A1 AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS MAPKAPK2, MAPK1, MAPK3 AHR 1288/4885SLC6A4 2247/4885SLC6A2 1318/4885
US-20200283432-A1 ZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS MAPKAPK2, MAPK1, MAPK3 AHR 1074/4885SLC6A4 2114/4885SLC6A2 1708/4885
US-11332459-B2 Benzimidazole derivatives and their uses TRPC6, TRPV6, TRPM6 AHR 2001/4885SLC6A4 229/4885SLC6A2 832/4885

“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.