Sugi Predict

Sugi Predict / Compounds / SCHEMBL641801

SCHEMBL641801

SCHEMBL641801

O=C(C(c1ccccc1)n1c(=O)[nH]c2cc(Cl)c(Cl)cc21)N1CCN(c2ccncc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 2/20 0.42
▸ F2 P00734 1/20 0.42
▸ PRSS1 P07477 1/20 0.42
▸ TRPV1 Q8NER1 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ CYP3A4 P08684 5/20 0.38
▸ ROCK2 O75116 3/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ P2RX7 Q99572 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ AKR1C3 P42330 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37

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
SCHEMBL640665 0.91 LMNA (0.43) F10F2PRSS1TRPV1TSHR
SCHEMBL641839 0.90 MDM2 (0.45) F10F2PRSS1TRPV1TSHR
SCHEMBL639530 0.88 P2RX7 (0.45) F10F2PRSS1TRPV1TSHR
SCHEMBL642096 0.87 F10 (0.42) F10F2PRSS1TRPV1TSHR
SCHEMBL641344 0.84 F10 (0.40) F10F2PRSS1TRPV1TSHR
SCHEMBL639658 0.79 KMT2A (0.49) LMNAMAPK1NPSR1CYP3A4ROCK2
SCHEMBL643017 0.79 ROCK2 (0.52) TSHRLMNAMAPK1RECQLNPSR1
SCHEMBL639650 0.78 F10 (0.46) F10CHRM1
SCHEMBL642674 0.77 RBP4 (0.42) F10TSHRLMNAMAPK1KDM4E
SCHEMBL640676 0.77 MDM2 (0.42) TSHRLMNACYP3A4SMN1; SMN2

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-8791148-B2 Substituted benzimidazolone derivatives, medicaments comprising them and their use AbbVie Deutschland GmbH & Co. KG (DE) 2014-07-29 — — US disclosed
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2012-07-05 — — US disclosed
US-8119676-B2 Substituted benzimidazolone derivatives, medicaments comprising them and their use Abbott GmbH & Co. HG (DE) 2012-02-21 — — US disclosed
US-20100152168-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE ABBOTT GMBH & CO. KG (DE) 2010-06-17 — — US disclosed
EP-2061769-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE Abbott GmbH & Co. KG (DE) 2009-05-27 — — EP disclosed
WO-2008025736-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE ABBOTT GMBH & CO. KG (DE) 2008-03-06 — — 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-20100152168-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A F10 276/4885F2 47/4885PRSS1 410/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A F10 276/4885F2 47/4885PRSS1 410/4885

“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.