SCHEMBL1998789

SCHEMBL1998789

Cc1ccc(NC([NH])=O)c(C)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.67
KMT2A Q03164 1/20 0.67
SMN1; SMN2 Q16637 2/20 0.61
ALDH1A1 P00352 1/20 0.61
HTT P42858 1/20 0.61
RAB9A P51151 3/20 0.54
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
NPC1 O15118 1/20 0.54
TP53 P04637 3/20 0.53
LMNA P02545 1/20 0.53

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
SCHEMBL2091371 0.83 MEN1 (0.71) MEN1KMT2ASMN1; SMN2ALDH1A1HTT
SCHEMBL14274485 0.83 MEN1 (0.71) MEN1KMT2ASMN1; SMN2ALDH1A1HTT
SCHEMBL11350134 0.83 MEN1 (0.71) MEN1KMT2ASMN1; SMN2ALDH1A1HTT
SCHEMBL4449040 0.82 TAS1R3 (0.69) MEN1KMT2ASMN1; SMN2ALDH1A1HTT
SCHEMBL2306741 0.82 KMT2A (0.69) MEN1KMT2ASMN1; SMN2ALDH1A1HTT
Fluoride SCHEMBL11786773 0.82 MEN1 (0.69) MEN1KMT2ASMN1; SMN2ALDH1A1HTT
SCHEMBL2091369 0.82 MEN1 (0.69) MEN1KMT2ASMN1; SMN2ALDH1A1HTT
SCHEMBL23797876 0.80 MEN1 (0.67) MEN1KMT2ASMN1; SMN2ALDH1A1HTT
SCHEMBL5932331 0.80 MEN1 (0.67) MEN1KMT2ASMN1; SMN2ALDH1A1HTT
SCHEMBL11786768 0.80 MEN1 (0.67) MEN1KMT2ASMN1; SMN2ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1932841-B1 SULFONAMIDE COMPOUND ASAHI KASEI PHARMA CORP (JP) 2014-01-01 EP disclosed
US-8415372-B2 Sulfonamide compound ASAHI KASEI PHARMA CORPORATION (JP) 2013-04-09 US disclosed
US-7964613-B2 (S)-3-amino-1-(4-bromo-5-isoquinolinesulfonyl)pyrrolidine; inhibits phosphorylation of myosin regulatory light chain; for spinal canal stenosis, spinal cord injury, rheumatoid arthritis, multiple sclerosis; Rho kinase inhibitors ASAHI KASEI PHARMA CORPORATION (JP) 2011-06-21 US disclosed
US-20100093789-A1 SULFONAMIDE COMPOUND ASAHI KASEI PHARMA CORPORATION (JP) 2010-04-15 US disclosed
EP-2130828-A1 SULFONAMIDE DERIVATIVE Asahi Kasei Pharma Corporation (JP) 2009-12-09 EP disclosed
US-7618984-B2 Sulfonamide compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-11-17 US disclosed
US-20090048223-A1 Sulfonamide compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-19 US disclosed
EP-1932841-A1 SULFONAMIDE COMPOUND Asahi Kasei Pharma Corporation (JP) 2008-06-18 EP disclosed
US-20070179127-A1 Sulfonamide compound ASAHI KASEI PHARMA CORPORATION (JP) 2007-08-02 US disclosed
EP-0426717-A1 OPTICAL MEMORY. RIEDEL DE HAEN AG (DE) 1991-05-15 EP disclosed
WO-1990001480-A1 OPTICAL MEMORY RIEDEL-DE HAEN AKTIENGESELLSCHAFT (DE) 1990-02-22 WO disclosed
US-4618610-A Triazine derivatives, and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-10-21 US disclosed
EP-0123254-A1 Triazine derivatives, processes for preparation thereof and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-10-31 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 (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-20100093789-A1 SULFONAMIDE COMPOUND AKT1, ROCK1, ROCK2 MEN1 2544/4885KMT2A 1671/4885SMN1; SMN2 2232/4885
US-20070179127-A1 Sulfonamide compound MYLK, MYLK2, MYLK3 MEN1 2620/4885KMT2A 1702/4885SMN1; SMN2 803/4885
US-20090048223-A1 Sulfonamide compound ALK, AKT1, ARAF MEN1 2880/4885KMT2A 1754/4885SMN1; SMN2 2399/4885

“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.