Sugi Predict

Sugi Predict / Compounds / SCHEMBL643288

SCHEMBL643288

SCHEMBL643288

N#Cc1ccc2c(c1)n(C(C(=O)N1CCC(CN3CCN(Cc4ccccc4)CC3)C1)c1ccccc1)c(=O)n2S(=O)(=O)c1ccc(OCC(F)F)cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.37
▸ THRB P10828 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ USP2 O75604 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MMP1 P03956 2/20 0.34
▸ ADAM17 P78536 2/20 0.34
▸ MMP13 P45452 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CHRM4 P08173 5/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.33
▸ MGLL Q99685 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ CCR3 P51677 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL643287 1.00 KMT2A (0.37) KMT2ATHRBALDH1A1USP2LMNA
SCHEMBL643286 1.00 KMT2A (0.37) KMT2ATHRBALDH1A1USP2LMNA
SCHEMBL642504 0.93 CASP3 (0.38) KMT2ATHRBALDH1A1USP2LMNA
SCHEMBL642503 0.93 CASP3 (0.38) KMT2ATHRBALDH1A1USP2LMNA
SCHEMBL642505 0.93 CASP3 (0.38) KMT2ATHRBALDH1A1USP2LMNA
SCHEMBL640056 0.92 ALDH1A1 (0.42) KMT2ATHRBALDH1A1LMNASMN1; SMN2
SCHEMBL640054 0.92 ALDH1A1 (0.42) KMT2ATHRBALDH1A1LMNASMN1; SMN2
SCHEMBL640055 0.92 ALDH1A1 (0.42) KMT2ATHRBALDH1A1LMNASMN1; SMN2
SCHEMBL641679 0.86 CHRM5 (0.39) ALDH1A1MGLL
SCHEMBL641574 0.86 CHRM5 (0.37) ALDH1A1MGLL

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 KMT2A 4356/4885THRB 660/4885ALDH1A1 586/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A KMT2A 4356/4885THRB 660/4885ALDH1A1 586/4885

“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.