SCHEMBL1677820

SCHEMBL1677820

c1coc(-c2csc(-c3nc4ccccc4[nH]3)n2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 9/20 0.67
▸ ALDH1A1 P00352 9/20 0.67
▸ KDM4E B2RXH2 8/20 0.67
▸ HPGD P15428 7/20 0.67
▸ TP53 P04637 6/20 0.67
▸ MAPT P10636 5/20 0.67
▸ ALOX15 P16050 4/20 0.67
▸ MEN1 O00255 2/20 0.67
▸ KMT2A Q03164 2/20 0.67
▸ CYP3A4 P08684 2/20 0.67
▸ TDP1 Q9NUW8 2/20 0.67
▸ MAPK1 P28482 1/20 0.67
▸ BRCA1 P38398 1/20 0.67
▸ RAB9A P51151 9/20 0.53
▸ PKM P14618 4/20 0.53
▸ GFER P55789 1/20 0.53
▸ KDM4C Q9H3R0 1/20 0.53
▸ SMN1; SMN2 Q16637 8/20 0.52
▸ NPC1 O15118 8/20 0.52
▸ FKBP1A P62942 2/20 0.52

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
SCHEMBL1677244 0.85 MAPT (0.56) HSD17B10ALDH1A1KDM4EHPGDTP53
Fuberidazole SCHEMBL23174 0.81 ALOX5 (0.65) HSD17B10ALDH1A1KDM4EHPGDTP53
Fuberidazole SCHEMBL29603252 0.81 ALOX5 (0.65) HSD17B10ALDH1A1KDM4EHPGDTP53
Fuberidazole SCHEMBL8817074 0.81 ALOX5 (0.65) HSD17B10ALDH1A1KDM4EHPGDTP53
SCHEMBL1677344 0.81 CYP19A1 (0.59) HSD17B10ALDH1A1KDM4EHPGDTP53
SCHEMBL7965438 0.80 KDM4E (1.00) HSD17B10ALDH1A1KDM4EHPGDTP53
SCHEMBL8343381 0.78 KDM4E (0.94) HSD17B10ALDH1A1KDM4EHPGDTP53
SCHEMBL8343142 0.76 KDM4E (0.80) HSD17B10ALDH1A1KDM4EHPGDTP53
SCHEMBL8346886 0.76 ALDH1A1 (0.67) HSD17B10ALDH1A1KDM4EHPGDTP53
SCHEMBL8343188 0.76 ALDH1A1 (0.67) HSD17B10ALDH1A1KDM4EHPGDTP53

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-1921077-B1 AGENT FOR TREATING AND/OR PREVENTING SLEEP DISORDER KYOWA HAKKO KIRIN CO LTD (JP) 2017-07-26 — — EP disclosed
US-7928098-B2 Therapeutic and/or preventive agents for a sleep disorder KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-04-19 — — US disclosed
US-20100280023-A1 THIAZOLE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 2010-11-04 — — US disclosed
US-20100152162-A1 THERAPEUTIC AND/OR PREVENTIVE AGENTS FOR A SLEEP DISORDER KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-17 — — US disclosed
EP-1921077-A1 AGENT FOR TREATING AND/OR PREVENTING SLEEP DISORDER KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-05-14 — — EP disclosed
EP-1894930-A1 THIAZOLE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-03-05 — — 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 (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-20100152162-A1 THERAPEUTIC AND/OR PREVENTIVE AGENTS FOR A SLEEP DISORDER HCRTR1, MTNR1A, HCRTR2 HSD17B10 125/4885ALDH1A1 638/4885KDM4E 2896/4885
US-20100280023-A1 THIAZOLE DERIVATIVES ADORA2A, ADORA3, GPR6 HSD17B10 1946/4885ALDH1A1 1449/4885KDM4E 4236/4885

“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.

Send feedback