Sugi Predict

Sugi Predict / Compounds / SCHEMBL6170433

SCHEMBL6170433

SCHEMBL6170433

COc1ccc(Cn2c(C)nc3ccc(C(=O)NCc4ccccn4)cc32)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.61
▸ MEN1 O00255 1/20 0.61
▸ PDE2A O00408 1/20 0.52
▸ KDM4E B2RXH2 3/20 0.51
▸ PPARG P37231 2/20 0.51
▸ ALDH1A1 P00352 3/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ RORC P51449 1/20 0.49
▸ DCTPP1 Q9H773 2/20 0.49
▸ TP53 P04637 1/20 0.49
▸ THRB P10828 1/20 0.49
▸ HPGD P15428 2/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ GLA P06280 2/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ NAMPT P43490 1/20 0.48
▸ HDAC1 Q13547 1/20 0.48

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
SCHEMBL6170298 0.91 PPARG (0.58) KMT2AMEN1PDE2AKDM4EPPARG
SCHEMBL6171906 0.91 PPARG (0.53) KMT2AMEN1PDE2AKDM4EPPARG
SCHEMBL6169196 0.89 PDE2A (0.53) KMT2AMEN1PDE2AKDM4EPPARG
SCHEMBL6170887 0.89 LMNA (0.58) PDE2AKDM4EPPARGALDH1A1NPC1
SCHEMBL6171876 0.89 PPARG (0.52) KMT2AMEN1PDE2AKDM4EPPARG
SCHEMBL6169216 0.88 PPARG (0.67) KMT2APDE2AKDM4EPPARGALDH1A1
SCHEMBL6169338 0.88 ALDH1A1 (0.55) KMT2AMEN1PDE2AKDM4EPPARG
SCHEMBL6170245 0.87 PPARG (0.59) KMT2AMEN1PDE2AKDM4EPPARG
SCHEMBL6168556 0.86 CYP1A2 (0.56) KMT2AMEN1PDE2AKDM4EPPARG
SCHEMBL6168971 0.86 TP53 (0.56) KMT2AMEN1PDE2AKDM4EALDH1A1

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
EP-0882718-B1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2005-08-31 — — EP disclosed
US-20020082280-A1 Method of inhibiting neoplastic cells with benzimidazole derivatives OSI PHARMACEUTICALS, INC. 2002-06-27 — — US disclosed
US-6352985-B1 CARDIOVASCULAR DISORDERS OR GASTROINTESTINAL DISORDERS, DIABETES (TYPE II DIABETES), DIABETIC COMPLICATIONS METHOD FOR LOWERING THE BLOOD SUGAR LEVEL OF A PATIENT, FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-05 — — US disclosed
US-6348032-B1 POTENT COMPOUNDS THAT INDUCE APOPTOSIS IN NEOPLASTIC CELLS (BUT NOT SUBSTANTIALLY IN NORMAL CELLS), WITHOUT SUBSTANTIALLY INHIBITING PGE-2. CELL PATHWAYS, INC. 2002-02-19 — — US disclosed
US-6166219-A Benzimidazole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-12-26 — — US disclosed
EP-0882718-A1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-12-09 — — EP 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-20020082280-A1 Method of inhibiting neoplastic cells with benzimidazole derivatives MKI67, CCNI, TMBIM6 KMT2A 1590/4885MEN1 1677/4885PDE2A 3774/4885

“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.