SCHEMBL3494987

SCHEMBL3494987

CS(=O)(=O)c1cccc(NC(N)=O)c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.58
MEN1 O00255 1/20 0.57
ALDH1A1 P00352 1/20 0.57
KMT2A Q03164 1/20 0.57
CA1 P00915 8/20 0.55
CA2 P00918 8/20 0.55
CA12 O43570 5/20 0.51
CA9 Q16790 5/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MAPT P10636 1/20 0.51
CSNK2A1 P68400 1/20 0.51
POLB P06746 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
ADORA3 P0DMS8 1/20 0.49
ADORA2A P29274 1/20 0.49
ADORA2B P29275 1/20 0.49
ADORA1 P30542 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
SCHEMBL1592707 0.85 LMNA (0.53) LMNAMEN1ALDH1A1KMT2ACA1
SCHEMBL4524583 0.85 CYP1A2 (0.57) LMNAMEN1ALDH1A1KMT2ACA1
SCHEMBL359383 0.84 CA1 (0.73) CA1CA2CA12CA9MAPT
SCHEMBL19814892 0.84 NT5E (0.57) LMNAALDH1A1CA1CA2CA12
SCHEMBL30266262 0.84 ALDH1A1 (0.58) LMNAMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL2177704 0.84 ALDH1A1 (0.58) LMNAMEN1ALDH1A1KMT2ACA1
SCHEMBL15461385 0.84 ALDH1A1 (0.58) LMNAMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL8773954 0.84 CA1 (0.53) LMNACA1CA2CA12CA9
SCHEMBL12049667 0.81 KMT2A (0.56) LMNAMEN1ALDH1A1KMT2ACA1
SCHEMBL11753236 0.81 GPR35 (0.65) LMNAMEN1ALDH1A1KMT2ACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-13 US disclosed
US-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-13 US disclosed
US-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-13 US disclosed
EP-1984355-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION Takeda Pharmaceutical Company Limited (JP) 2008-10-29 EP disclosed
WO-2007094513-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-23 WO disclosed
WO-2007094513-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-23 WO disclosed
CN-1308310-C Nitrogen-containing aromatic ring derivatives EISAI CO LTD (JP) 2007-04-04 CN disclosed
CN-1787996-A Nitrogen-containing heterocyclic derivative and drug containing the same as active ingredient ONO PHARMACEUTICAL CO (JP) 2006-06-14 CN 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-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension REN, AGTR1, AGTR2 LMNA 201/4885MEN1 750/4885ALDH1A1 1062/4885

“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.