SCHEMBL656835

SCHEMBL656835

COC(=O)c1ccc(C(=O)Nc2cccc(C(N)=O)c2N)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.52
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ AHR P35869 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ SIRT2 Q8IXJ6 1/20 0.47
▸ CD274 Q9NZQ7 4/20 0.46
▸ P4HTM Q9NXG6 4/20 0.46
▸ LMNA P02545 3/20 0.42
▸ POLB P06746 3/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL31593224 0.78 CD274 (0.63) MAPK1MEN1KMT2AAHRKDM4E
SCHEMBL21229150 0.78 CD274 (0.63) MAPK1MEN1KMT2AAHRKDM4E
SCHEMBL5717551 0.76 MAPK1 (0.77) MAPK1KMT2AKDM4EL3MBTL1P4HTM
SCHEMBL23685216 0.76 MAPK1 (0.55) MAPK1MEN1KMT2AAHRKDM4E
SCHEMBL20539977 0.76 MAPK1 (0.55) MAPK1MEN1KMT2AAHRKDM4E
SCHEMBL30257716 0.76 MAPK1 (0.55) MAPK1MEN1KMT2AAHRKDM4E
SCHEMBL1201691 0.75 RAB9A (0.47) MAPK1MEN1KMT2AKDM4ELMNA
SCHEMBL465733 0.75 HDAC3 (0.61) MEN1KMT2AKDM4ELMNAPOLB
SCHEMBL2830289 0.73 MAPK1 (0.72) MAPK1MEN1KMT2AAHRKDM4E
SCHEMBL7318242 0.73 TSHR (0.58) MAPK1MEN1KMT2AKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046303-A1 BENZIMIDAZOLE POLY(ADP RIBOSE)POLYMERASE INHIBITORS ABBOTT LABORATORIES (US) 2012-02-23 — — US disclosed
US-8067613-B2 Benzimidazole poly(ADP ribose)polymerase inhibitors ABBOTT LABORATORIES (US) 2011-11-29 — — US disclosed
CN-101754967-A Benzimidazole poly (ADP-ribose) polymerase inhibitors ABBOTT LAB 2010-06-23 — — CN disclosed
EP-2183248-A2 BENZIMIDAZOLE POLY (ADP RIBOSE) POLYMERASE INHIBITORS Abbott Laboratories (US) 2010-05-12 — — EP disclosed
US-20090030016-A1 BENZIMIDAZOLE POLY(ADP RIBOSE)POLYMERASE INHIBITORS ABBOTT LABORATORIES (US) 2009-01-29 — — US disclosed
WO-2009012280-A2 BENZIMIDAZOLE POLY(ADP-RIBOSE)POLYMERASE INHIBITORS ABBOTT LABORATORIES (US) 2009-01-22 — — 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 (2 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-20090030016-A1 BENZIMIDAZOLE POLY(ADP RIBOSE)POLYMERASE INHIBITORS PARP1, PARP2, PARP3 MAPK1 4096/4885MEN1 4272/4885KMT2A 1776/4885
US-20120046303-A1 BENZIMIDAZOLE POLY(ADP RIBOSE)POLYMERASE INHIBITORS PARP1, PARP2, PARP3 MAPK1 4096/4885MEN1 4272/4885KMT2A 1776/4885

“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.

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