SCHEMBL5495359

SCHEMBL5495359

N#CNc1cccc(C(N)=O)c1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ATIC P31939 1/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
PARP1 P09874 16/20 0.50
PARP10 Q53GL7 9/20 0.50
PARP15 Q460N3 5/20 0.50
PARP14 Q460N5 4/20 0.50
ROCK1 Q13464 1/20 0.46

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
SCHEMBL2346165 0.84 AKR1C3 (0.51) MEN1KMT2A
Water SCHEMBL8887299 0.84 AKR1C3 (0.51) MEN1KMT2A
SCHEMBL27789671 0.84 MEN1 (0.54) ATICMEN1KMT2APARP1PARP10
SCHEMBL11505875 0.82 CA1 (0.49)
SCHEMBL11335359 0.82 KMT2A (0.57) MEN1KMT2A
SCHEMBL11595620 0.81 L3MBTL1 (0.57)
SCHEMBL11131080 0.79 KMT2A (0.56) MEN1KMT2A
SCHEMBL9921486 0.79 MEN1 (0.61) MEN1KMT2APARP1PARP10PARP15
SCHEMBL11337097 0.78 L3MBTL1 (0.48) MEN1KMT2A
SCHEMBL2475659 0.77 MEN1 (0.59) MEN1KMT2APARP1PARP10PARP15

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
US-20070072912-A1 Alicyclic-amine-substituted 4-carboxamido-benzimidazoles as parp-inhibitors and antioxidants CEDARS-SINAI MEDICAL CENTER (US) 2007-03-29 US disclosed
EP-1622893-A1 NEW ALICYCLIC-AMINE-SUBSTITUTED 4-CARBOXAMIDO-BENZIMIDAZOLES AS PARP-INHIBITORS AND ANTIOXIDANTS Hideg, Kalman (HU) 2006-02-08 EP disclosed
WO-2004096793-A1 NEW ALICYCLIC-AMINE-SUBSTITUTED 4-CARBOXAMIDO-BENZIMIDAZOLES AS PARP-INHIBITORS AND ANTIOXIDANTS HIDEG KALMAN (HU) 2004-11-11 WO disclosed
US-4258033-A CORONARY VASODILATORS EFFECTIVE IN ISCHEMIC HEART DISEASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-03-24 US 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-20070072912-A1 Alicyclic-amine-substituted 4-carboxamido-benzimidazoles as parp-inhibitors and antioxidants PARP1, PARP2, PARP11 ATIC 256/4885MEN1 3484/4885KMT2A 735/4885

“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.