SCHEMBL3365951

SCHEMBL3365951

CN(C)CCCNC(=O)CCc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.63
ALDH1A1 P00352 8/20 0.60
PKM P14618 1/20 0.58
GAA P10253 1/20 0.57
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
GRIN1 Q05586 1/20 0.50
GRIN2B Q13224 1/20 0.50
AVPR2 P30518 1/20 0.49
OXTR P30559 1/20 0.49
AVPR1A P37288 1/20 0.49
AVPR1B P47901 1/20 0.49
HDAC4 P56524 2/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC3 O15379 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49

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 0.80 OXTR (0.63) MAPTALDH1A1KMT2AAVPR2OXTR
SCHEMBL3366973 0.78 OXTR (0.61) MAPTALDH1A1KMT2AMEN1AVPR2
SCHEMBL3367245 0.76 IDO1 (0.59) MAPTALDH1A1KMT2AMEN1HDAC4
SCHEMBL1986412 0.75 GAA (0.57) GAAHDAC1HDAC8HDAC2HDAC6
SCHEMBL9325965 0.74 ALDH1A1 (0.64) ALDH1A1HDAC4HDAC1HDAC8HDAC3
SCHEMBL7839591 0.74 GAA (0.56) MAPTGAAHDAC1HDAC8HDAC2
SCHEMBL27812546 0.72 FFAR1 (0.74) ALDH1A1PRMT1TDP1CES1
SCHEMBL3368760 0.72 CACNA1B (0.74) MAPTALDH1A1KMT2AMEN1TDP1
SCHEMBL24324833 0.72 CES1 (0.69) MAPTALDH1A1PRMT1TDP1CES1
SCHEMBL29306716 0.72 HPGD (0.66) ALDH1A1KMT2AMEN1HDAC3

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 MAPT 4842/4885ALDH1A1 2629/4885PKM 3603/4885

“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.