SCHEMBL6985194

SCHEMBL6985194

N#CCCc1cc(C=S)ccc1Cl

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CHEK1 O14757 1/20 0.32

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
SCHEMBL11058440 0.77 CYP3A4 (0.43) MEN1KMT2ACHEK1
SCHEMBL5422243 0.74 SLC6A4 (0.42) MEN1KMT2ACHEK1
SCHEMBL6985196 0.71 IDO1 (0.50) MEN1KMT2ACHEK1
SCHEMBL1343862 0.69 TAAR1 (0.54) MEN1KMT2A
SCHEMBL28630653 0.66 IDO1 (0.50) MEN1KMT2ACHEK1
SCHEMBL17954417 0.66 TRPV4 (0.52)
SCHEMBL25370453 0.66 ALDH1A1 (0.52)
SCHEMBL25369768 0.66 CYP2A6 (0.35)
SCHEMBL663110 0.64 MEN1 (0.48) MEN1KMT2A
SCHEMBL24300648 0.64 MEN1 (0.50) MEN1KMT2ACHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1146041-B1 Derivatives of heterocycloalkylbenzocyclobutane and heteroarylbenzocyclobutane and their use as inhibitors of the recapture of serotonine and of noradrenaline SERVIER LAB (FR) 2003-11-12 EP disclosed
US-6420413-B2 1-(6-((DIMETHYLAMINO)METHYL)-1-METHYL-2,3,5,6-TETRAHYDRO-1H -CYCLOBUTA(F) INDOL-6-YL)CYCLOHEXANOL, FOR EXAMPLE; TREATING PSYCHOLOGICAL DISORDERS SUCH AS DEPRESSION, PANIC ATTACKS, PHOBIAS, DRUG ABUSE, AS WELL AS OBESITY AND BULEMIA LES LABORATORIES SERVIER (FR) 2002-07-16 US disclosed
US-20020019380-A1 Heterocycloalkylbenzocyclobutane and heteroarylbenzocyclobutane compounds LES LABORATOIRES SERVIER (FR) 2002-02-14 US disclosed
EP-1146041-A1 Derivatives of heterocycloalkylbenzocyclobutane and heteroarylbenzocyclobutane and their use as inhibitors of the recapture of serotonine and of noradrenaline ADIR ET COMPAGNIE (FR) 2001-10-17 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 (1 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-20020019380-A1 Heterocycloalkylbenzocyclobutane and heteroarylbenzocyclobutane compounds HSD3B2, HSD3B1, NR1H3 MEN1 2535/4885KMT2A 2843/4885CHEK1 2256/4885

“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.