SCHEMBL1677420

SCHEMBL1677420

c1coc(-c2csc(-c3nc4c([nH]3)CCCC4)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.49
▸ ALDH1A1 P00352 8/20 0.47
▸ MAPT P10636 7/20 0.47
▸ HSD17B10 Q99714 7/20 0.47
▸ KDM4E B2RXH2 5/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ PKM P14618 2/20 0.47
▸ GFER P55789 1/20 0.47
▸ KDM4C Q9H3R0 1/20 0.47
▸ HPGD P15428 6/20 0.45
▸ MEN1 O00255 5/20 0.45
▸ KMT2A Q03164 5/20 0.45
▸ ALOX15 P16050 4/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ NPC1 O15118 2/20 0.37
▸ TOP1 P11387 1/20 0.36
▸ MAPK1 P28482 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ TP53 P04637 1/20 0.35

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
SCHEMBL1678585 0.84 CYP19A1 (0.46) CYP19A1ALDH1A1MAPTHSD17B10KDM4E
SCHEMBL1677820 0.73 HSD17B10 (0.67) CYP19A1ALDH1A1MAPTHSD17B10KDM4E
SCHEMBL7253210 0.73 CYP19A1 (0.72) CYP19A1ALDH1A1MAPTHSD17B10KDM4E
SCHEMBL1677344 0.70 CYP19A1 (0.59) CYP19A1ALDH1A1MAPTHSD17B10KDM4E
SCHEMBL1677244 0.69 MAPT (0.56) CYP19A1ALDH1A1MAPTHSD17B10KDM4E
SCHEMBL1677450 0.68 ALDH1A1 (0.39) ALDH1A1MAPTHSD17B10KDM4ERAB9A
SCHEMBL16767195 0.67 MAPT (0.65) CYP19A1ALDH1A1MAPTHSD17B10KDM4E
SCHEMBL6861541 0.64 KMT2A (0.57) ALDH1A1MAPTKDM4ERAB9AMEN1
SCHEMBL1677340 0.63 MAPT (0.67) CYP19A1ALDH1A1MAPTHSD17B10KDM4E
SCHEMBL653613 0.63 MAPT (1.00) CYP19A1ALDH1A1MAPTHSD17B10KDM4E

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
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-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

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-20100152162-A1 THERAPEUTIC AND/OR PREVENTIVE AGENTS FOR A SLEEP DISORDER HCRTR1, MTNR1A, HCRTR2 CYP19A1 464/4885ALDH1A1 638/4885MAPT 2204/4885

“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.

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