SCHEMBL7766740

SCHEMBL7766740

C#CC(C)(C)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.44
▸ HSPB1 P04792 1/20 0.43
▸ HSD17B10 Q99714 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ ACHE P22303 2/20 0.42
▸ CA1 P00915 4/20 0.42
▸ CA2 P00918 4/20 0.42
▸ CA9 Q16790 2/20 0.42
▸ CES2 O00748 1/20 0.42
▸ CES1 P23141 1/20 0.42
▸ BCL9 O00512 1/20 0.41
▸ CTNNB1 P35222 1/20 0.41
▸ HTT P42858 1/20 0.41

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
SCHEMBL2733042 0.81 HSD17B10 (0.52) HSPB1HSD17B10ALDH1A1CYP3A4MAPK1
SCHEMBL16407834 0.79 GAA (0.50) MAPTALDH1A1GAASMN1; SMN2BCL9
SCHEMBL745620 0.77 HSPB1 (0.49) HSPB1HSD17B10ALDH1A1CYP3A4MAPK1
SCHEMBL28120168 0.77 HSPB1 (0.47) HSPB1HSD17B10ALDH1A1CYP3A4MAPK1
SCHEMBL15388537 0.77 HSPB1 (0.52) HSPB1HSD17B10ALDH1A1CYP3A4MAPK1
SCHEMBL15579097 0.76 HSPB1 (0.43) HSPB1HSD17B10ALDH1A1CYP3A4MAPK1
SCHEMBL16694332 0.75 GPR35 (0.45) MAPTHSD17B10ALDH1A1CYP3A4MAPK1
SCHEMBL31254019 0.75 ALDH1A1 (0.41) MAPTALDH1A1MAPK1GAALMNA
SCHEMBL2069926 0.75 PARP1 (0.40) MAPTALDH1A1CYP3A4MAPK1LMNA
SCHEMBL31125240 0.75 ATM (0.46) MAPTHSPB1ALDH1A1CYP3A4MAPK1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9745280-B2 Compound or pharmaceutically acceptable salt thereof, and pharmaceutical composition containing same as active ingredient SNU R&DB FOUNDATION (KR) 2017-08-29 — — US disclosed
US-20160168161-A1 METHOD FOR PRODUCING HETEROCYCLIC COMPOUND NISSAN CHEMICAL INDUSTIES, LTD. (JP) 2016-06-16 — — US disclosed
US-20160168161-A1 METHOD FOR PRODUCING HETEROCYCLIC COMPOUND NISSAN CHEMICAL INDUSTIES, LTD. (JP) 2016-06-16 — — US disclosed
US-20160168161-A1 METHOD FOR PRODUCING HETEROCYCLIC COMPOUND NISSAN CHEMICAL INDUSTIES, LTD. (JP) 2016-06-16 — — US disclosed
EP-3026047-A1 METHOD FOR PRODUCING HETEROCYCLIC COMPOUND Nissan Chemical Industries, Ltd. (JP) 2016-06-01 — — EP disclosed
EP-1109801-A1 SUBSTITUTED DIHYDROBENZOPYRANS USEFUL AS ANTIARRHYTHMIC AGENTS THE PROCTER & GAMBLE COMPANY (US) 2001-06-27 — — EP disclosed
WO-2000014084-A1 SUBSTITUTED DIHYDROBENZOPYRANS USEFUL AS ANTIARRHYTHMIC AGENTS THE PROCTER & GAMBLE COMPANY (US) 2000-03-16 — — WO disclosed
US-4110347-A ANTIHYPERTENSIVE BEECHAM GROUP LIMITED (GB) 1978-08-29 — — 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-20160168161-A1 METHOD FOR PRODUCING HETEROCYCLIC COMPOUND H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NAT1, NAT10 MAPT 2464/4885HSPB1 3177/4885HSD17B10 1442/4885

“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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