SCHEMBL3366973

SCHEMBL3366973

CN(C)CCCNC(=O)CCc1ccc(S(=O)(=O)N(CC(=O)NN)c2ccc(Cl)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXTR P30559 2/20 0.61
AVPR1A P37288 2/20 0.61
AVPR2 P30518 1/20 0.61
AVPR1B P47901 1/20 0.61
PTGER1 P34995 2/20 0.51
MAPT P10636 1/20 0.49
TSHR P16473 1/20 0.49
ALDH1A1 P00352 1/20 0.47
RAB9A P51151 1/20 0.47
HCRTR1 O43613 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
MCOLN3 Q8TDD5 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44

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
SCHEMBL3368935 0.90 OXTR (0.63) OXTRAVPR1AAVPR2AVPR1BPTGER1
SCHEMBL3369291 0.81 OXTR (0.56) OXTRAVPR1AMAPTSMN1; SMN2KMT2A
SCHEMBL3366368 0.79 OXTR (0.57) OXTRAVPR1AAVPR2AVPR1BPTGER1
SCHEMBL3366380 0.79 OXTR (0.57) OXTRAVPR1AAVPR2AVPR1BPTGER1
SCHEMBL3365951 0.78 MAPT (0.63) OXTRAVPR1AAVPR2AVPR1BMAPT
SCHEMBL3366699 0.74 KEAP1 (0.54) PTGER1TSHRALDH1A1SMN1; SMN2KMT2A
SCHEMBL7839591 0.72 GAA (0.56) MAPT
SCHEMBL1986412 0.71 GAA (0.57)
SCHEMBL11631003 0.68 KMT2A (0.55) PTGER1ALDH1A1SMN1; SMN2MCOLN3KMT2A
SCHEMBL29306716 0.68 HPGD (0.66) TSHRALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1335901-B1 PHARMACEUTICALLY ACTIVE SULFANILIDE DERIVATIVES MERCK SERONO SA (CH) 2010-04-14 EP disclosed
US-7312358-B2 Pharmaceutically active sulfanilide derivatives LABORATOIRES SERONO SA (CH) 2007-12-25 US disclosed
US-20040072816-A1 Pharmaceutically active sulfanilide derivatives MERCK SERONO SA (CH) 2004-04-15 US disclosed
EP-1335901-A1 PHARMACEUTICALLY ACTIVE SULFANILIDE DERIVATIVES Applied Research Systems ARS Holding N.V. (AN) 2003-08-20 EP disclosed
WO-2002032864-A1 PHARMACEUTICALLY ACTIVE SULFANILIDE DERIVATIVES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2002-04-25 WO 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-20040072816-A1 Pharmaceutically active sulfanilide derivatives OXTR, AVPR2, OPRL1 OXTR 1/4885AVPR1A 4/4885AVPR2 2/4885

“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.