SCHEMBL3743873

SCHEMBL3743873

CC(C#N)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.50
SLC6A4 P31645 4/20 0.42
SLC6A2 P23975 3/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
AHR P35869 3/20 0.41
PNMT P11086 1/20 0.37
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
IDO2 Q6ZQW0 1/20 0.37
PTGS1 P23219 1/20 0.36
TP53 P04637 1/20 0.36
CYP1B1 Q16678 1/20 0.35
KMO O15229 1/20 0.35

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
SCHEMBL10910262 0.82 CYP3A4 (0.45) SLC6A3ALDH1A1HTTSMN1; SMN2PTGS1
SCHEMBL11070316 0.80 SLC6A3 (0.47) SLC6A3SLC6A4SLC6A2ALDH1A1LMNA
SCHEMBL8897255 0.79 ALDH1A1 (0.45) SLC6A3SLC6A4SLC6A2ALDH1A1LMNA
SCHEMBL20459542 0.79 SLC6A3 (0.42) SLC6A3SLC6A4SLC6A2ALDH1A1LMNA
SCHEMBL11567407 0.79 SLC6A3 (0.46) SLC6A3SLC6A4SLC6A2ALDH1A1LMNA
SCHEMBL15484869 0.78 AKR1C3 (0.42) IDO1
SCHEMBL6565095 0.77 ESR1 (0.43) ALDH1A1
SCHEMBL10910506 0.76 TSHR (0.50) ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL909757 0.76 ADRB2 (0.50) SLC6A3SLC6A2ALDH1A1LMNAHTT
SCHEMBL5789630 0.75 SLC6A3 (0.50) SLC6A3SLC6A4SLC6A2AHRIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023135233-A1 AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS AGV DISCOVERY (FR) 2023-07-20 WO disclosed
EP-4212531-A1 AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS AGV Discovery (FR) 2023-07-19 EP disclosed
US-7855292-B2 Cholecystokinin (CCK) receptor ligands; antagonists; 3-(5-Bromo-thiophen-2-yl)-2-[4-chloro-2-(quinoxaline-5-sulfonylamino)-benzoylamino]-propionic acid methy; pain, drug dependence, anxiety, panic attack, schizophrenia, pancreatic disorders, secretory disorders, ulcers, cancers; improved pharmacokinetics JANSSEN PHARMACEUTICA NV (BE) 2010-12-21 US disclosed
US-20100292240-A1 SULFONAMIDE COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2010-11-18 US disclosed
US-20080132511-A1 Cholecystokinin (CCK) receptor ligands; antagonists; 3-(5-Bromo-thiophen-2-yl)-2-[4-chloro-2-(quinoxaline-5-sulfonylamino)-benzoylamino]-propionic acid methy; pain, drug dependence, anxiety, panic attack, schizophrenia, pancreatic disorders, secretory disorders, ulcers, cancers; improved pharmacokinetics JANSSEN PHARMACEUTICA NV (BE) 2008-06-05 US disclosed
US-7297816-B2 Sulfonamide compounds JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-20 US disclosed
CN-101061116-A Sulfonamide compounds JANSSEN PHARMACEUTICA NV (BE) 2007-10-24 CN disclosed
EP-1797083-A1 SULFONAMIDE COMPOUNDS Janssen Pharmaceutica, N.V. (BE) 2007-06-20 EP disclosed
WO-2006036670-A1 SULFONAMIDE COMPOUNDS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-04-06 WO disclosed
US-20060069286-A1 Sulfonamide compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2006-03-30 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-20080132511-A1 Cholecystokinin (CCK) receptor ligands; antagonists; 3-(5-Bromo-thiophen-2-yl)-2-[4-chloro-2-(quinoxaline-5-sulfonylamino)-benzoylamino]-propionic acid methy; pain, drug dependence, anxiety, panic attack, schizophrenia, pancreatic disorders, secretory disorders, ulcers, cancers; improved pharmacokinetics CCKAR, CCKBR, GRPR SLC6A3 260/4885SLC6A4 610/4885SLC6A2 443/4885
US-20100292240-A1 SULFONAMIDE COMPOUNDS CCKAR, CCKBR, TAS1R2 SLC6A3 2135/4885SLC6A4 1827/4885SLC6A2 1859/4885
US-20060069286-A1 Sulfonamide compounds CCKAR, CCKBR, TAS1R2 SLC6A3 2135/4885SLC6A4 1827/4885SLC6A2 1859/4885

“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.