Sugi Predict

Sugi Predict / Compounds / SCHEMBL1107915

SCHEMBL1107915

SCHEMBL1107915

c1ccc(-c2cccc(-c3nnc(-c4ccc(-c5nnc(-c6cccc(-c7ccccc7)n6)s5)s4)s3)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ ASIC3 Q9UHC3 1/20 0.47
▸ MAPT P10636 4/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ NPC1 O15118 4/20 0.43
▸ ATM Q13315 1/20 0.43
▸ PIM1 P11309 1/20 0.40
▸ PIM3 Q86V86 1/20 0.40
▸ PIM2 Q9P1W9 1/20 0.40
▸ HSD17B1 P14061 3/20 0.39
▸ HSD17B2 P37059 2/20 0.39
▸ ALDH1A1 P00352 3/20 0.37
▸ POLB P06746 2/20 0.37
▸ GLA P06280 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ TP53 P04637 1/20 0.35
▸ NQO2 P16083 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
SCHEMBL1107895 0.91 RAB9A (0.67) RAB9AKMT2AMEN1ASIC3MAPT
SCHEMBL1107892 0.86 RAB9A (0.59) RAB9AKMT2AMEN1ASIC3MAPT
SCHEMBL1107913 0.84 MEN1 (0.57) RAB9AKMT2AMEN1ASIC3MAPT
SCHEMBL1107866 0.84 RAB9A (0.57) RAB9AKMT2AMEN1ASIC3MAPT
SCHEMBL1107929 0.82 TRPV3 (0.39) KMT2AMEN1KDM4E
SCHEMBL1107903 0.81 RAB9A (0.53) RAB9AKMT2AMEN1ASIC3MAPT
SCHEMBL1107905 0.81 MEN1 (0.53) RAB9AKMT2AMEN1ASIC3MAPT
SCHEMBL1107858 0.80 KDM4E (0.62) RAB9AMAPTKDM4ENPC1ATM
SCHEMBL1107855 0.80 KDM4E (0.62) RAB9AMAPTKDM4ENPC1ATM
SCHEMBL1107878 0.80 RAB9A (0.52) RAB9AKMT2AMEN1ASIC3MAPT

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 RAB9A 2662/4885KMT2A 2715/4885MEN1 1449/4885

“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.