Sugi Predict

Sugi Predict / Compounds / SCHEMBL3538698

SCHEMBL3538698

SCHEMBL3538698

C[Si](C)(C)CCOCn1nc(-c2nc3ccccc3n2COCC[Si](C)(C)C)c2cc(Br)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 4/20 0.43
▸ MAPT P10636 3/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ KDM4E B2RXH2 5/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ TP53 P04637 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ PTGER4 P35408 1/20 0.39
▸ DGAT1 O75907 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ GALR3 O60755 1/20 0.36
▸ NR2F2 P24468 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ RPS6KA5 O75582 1/20 0.34

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
SCHEMBL5518847 0.88 KDM4E (0.39) HSD17B10MAPTLMNATSHRKDM4E
SCHEMBL5518836 0.88 KDM4E (0.44) HSD17B10MAPTLMNATSHRKDM4E
SCHEMBL5510647 0.84 KDM4E (0.38) HSD17B10MAPTLMNATSHRKDM4E
SCHEMBL5522745 0.83 KDM4E (0.44) HSD17B10MAPTLMNATSHRKDM4E
SCHEMBL5253124 0.82 KDM4E (0.39) HSD17B10MAPTLMNATSHRKDM4E
SCHEMBL31172310 0.81 NPC1 (0.40) MAPTKDM4ENPC1TP53PTGER4
SCHEMBL5249126 0.80 KDM4E (0.39) HSD17B10MAPTLMNATSHRKDM4E
SCHEMBL3536514 0.80 DRD3 (0.44) HSD17B10KDM4ENPC1ALDH1A1TP53
SCHEMBL4506965 0.78 BRD4 (0.37) NPC1PTGER4DGAT1
SCHEMBL4312796 0.77 DGAT1 (0.43) HSD17B10MAPTLMNATSHRKDM4E

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-7642278-B2 Nitrogen compounds such as 3-(5-morpholin-4-yl-1H-benz-imidazol-2-yl)-1H-indazole and/or isomers, used as immunology modulators, antidiabetic agents, antiogenesis inhibitors or for prophylaxis of Alzheimer's disease NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-01-05 — — US disclosed
US-7064215-B2 Indazole benzimidazole compounds CHIRON CORPORATION (US) 2006-06-20 — — US disclosed
US-20060079564-A1 Indazole benzimidazole compounds CHIRON CORPORATION 2006-04-13 — — US disclosed
EP-1401831-A1 INDAZOLE BENZIMIDAZOLE COMPOUNDS AS TYROSINE AND SERINE/THREONINE KINASE INHIBITORS CHIRON CORPORATION (US) 2004-03-31 — — EP disclosed
US-20030207883-A1 Indazole benzimidazole compounds CHIRON CORPORATION 2003-11-06 — — US disclosed
WO-2003004488-A1 INDAZOLE BENZIMIDAZOLE COMPOUNDS AS TYROSINE AND SERINE/THREONINE KINASE INHIBITORS CHIRON CORPORATION (US) 2003-01-16 — — 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-20060079564-A1 Indazole benzimidazole compounds ABL1, ABL2, ALK HSD17B10 3933/4885MAPT 19/4885LMNA 2670/4885
US-20030207883-A1 Indazole benzimidazole compounds SLCO1B3, SLCO1B1, SLCO4C1 HSD17B10 2473/4885MAPT 1127/4885LMNA 3372/4885

“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.