Sugi Predict

Sugi Predict / Compounds / SCHEMBL1107932

SCHEMBL1107932

SCHEMBL1107932

c1cc(-c2nnc(-c3cc(-c4nnc(-c5cccc(-c6cccc7ccccc67)n5)s4)cc(-c4nnc(-c5cccc(-c6cccc7ccccc67)n5)s4)c3)s2)nc(-c2cccc3ccccc23)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ DCTPP1 Q9H773 1/20 0.40
▸ PTPN11 Q06124 1/20 0.40
▸ PIM1 P11309 1/20 0.39
▸ PIM3 Q86V86 1/20 0.39
▸ PIM2 Q9P1W9 1/20 0.39
▸ HTR2C P28335 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SENP6 Q9GZR1 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ MEN1 O00255 1/20 0.38

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
SCHEMBL1107953 0.95 PIM1 (0.44) KDM4EALDH1A1HPGDLMNAHSD17B10
SCHEMBL1107904 0.94 PIM1 (0.41) KDM4EALDH1A1HPGDLMNAHSD17B10
SCHEMBL1107888 0.92 KDM4E (0.43) KDM4EALDH1A1HPGDLMNAHSD17B10
SCHEMBL1107963 0.92 KDM4E (0.47) KDM4EALDH1A1HPGDLMNAHSD17B10
SCHEMBL1107947 0.90 KDM4E (0.38) KDM4EALDH1A1HPGDLMNAHSD17B10
SCHEMBL1107946 0.89 PIM1 (0.41) KDM4EALDH1A1HPGDLMNAHSD17B10
SCHEMBL1107902 0.87 PIM1 (0.39) KDM4EALDH1A1HPGDLMNAHSD17B10
SCHEMBL1107884 0.85 KDM4E (0.42) KDM4EALDH1A1HPGDLMNAHSD17B10
SCHEMBL1107959 0.84 KDM4E (0.41) KDM4EALDH1A1HPGDLMNAHSD17B10
SCHEMBL1107912 0.83 PTPN11 (0.41) KDM4EALDH1A1HPGDLMNAHSD17B10

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-8153277-B2 Compound having thiadiazole ring structure substituted with pyridyl group and organic electroluminescent device HODOGAYA CHEMICAL CO., LTD. (JP) 2012-04-10 — — US disclosed
US-8153277-B2 Compound having thiadiazole ring structure substituted with pyridyl group and organic electroluminescent device HODOGAYA CHEMICAL CO., LTD. (JP) 2012-04-10 — — US disclosed
US-20090108750-A1 COMPOUND HAVING THIADIAZOLE RING STRUCTURE SUBSTITUTED WITH PYRIDYL GROUP AND ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO., LTD. (JP) 2009-04-30 — — US disclosed
US-20090108750-A1 COMPOUND HAVING THIADIAZOLE RING STRUCTURE SUBSTITUTED WITH PYRIDYL GROUP AND ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO., LTD. (JP) 2009-04-30 — — 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 (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-20090108750-A1 COMPOUND HAVING THIADIAZOLE RING STRUCTURE SUBSTITUTED WITH PYRIDYL GROUP AND ORGANIC ELECTROLUMINESCENT DEVICE OXA1L, SLCO4C1, SLCO2B1 KDM4E 834/4885ALDH1A1 403/4885HPGD 2694/4885

“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.