Sugi Predict

Sugi Predict / Compounds / SCHEMBL641386

SCHEMBL641386

SCHEMBL641386

N#Cc1ccc2c(c1)n(C(C(=O)N1CCN(c3ccncc3)CC1)c1ccccc1)c(=O)n2S(=O)(=O)c1cccc2cccnc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ GAA P10253 1/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ AVPR1B P47901 2/20 0.43
▸ FABP1 P07148 1/20 0.42
▸ ALOX15 P16050 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ P2RX7 Q99572 1/20 0.37
▸ CHRM1 P11229 4/20 0.37
▸ F2 P00734 1/20 0.36

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
SCHEMBL639890 0.89 MAPT (0.49) MAPTALDH1A1GAASMN1; SMN2MEN1
SCHEMBL640097 0.88 MAPT (0.50) MAPTALDH1A1GAASMN1; SMN2MEN1
SCHEMBL639653 0.86 F10 (0.39) GAASMN1; SMN2AVPR1BCYP1A2CYP3A4
SCHEMBL639771 0.82 AVPR1B (0.51) MAPTGAAAVPR1BMAPK1P2RX7
SCHEMBL640193 0.82 AVPR1B (0.43) MAPTALDH1A1GAASMN1; SMN2MEN1
SCHEMBL639903 0.81 CYP3A4 (0.39) MAPK1TSHRCYP3A4CHRM1F2
SCHEMBL641820 0.79 LSS (0.39) GAAMAPK1TSHRCYP3A4P2RX7
SCHEMBL640609 0.79 AVPR1B (0.47) MAPTALDH1A1GAASMN1; SMN2MEN1
SCHEMBL641205 0.79 MEN1 (0.38) MAPTALDH1A1GAASMN1; SMN2MEN1
SCHEMBL641204 0.79 MEN1 (0.38) MAPTALDH1A1GAASMN1; SMN2MEN1

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-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

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 MAPT 4368/4885ALDH1A1 586/4885GAA 1794/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A MAPT 4368/4885ALDH1A1 586/4885GAA 1794/4885

“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.