SCHEMBL17737202

SCHEMBL17737202

CC(CCCCN)C(=O)Nc1cccc(O)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.52
▸ TSHR P16473 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ NLRP3 Q96P20 4/20 0.46
▸ PKM P14618 1/20 0.44
▸ SIRT5 Q9NXA8 1/20 0.44
▸ HDAC4 P56524 1/20 0.44
▸ HPGDS O60760 1/20 0.44
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ TP53 P04637 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ SSTR2 P30874 1/20 0.41
▸ SSTR4 P31391 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
SCHEMBL11874540 0.83 HSD17B10 (0.74) HSD17B10TSHRALDH1A1CYP1A2NLRP3
SCHEMBL2742152 0.80 ALDH1A1 (0.57) HSD17B10TSHRALDH1A1CYP1A2NLRP3
SCHEMBL17737203 0.78 SIRT5 (0.61) HSD17B10TSHRSIRT5HDAC4MAPT
Benzene SCHEMBL7281101 0.77 ALDH1A1 (0.54) HSD17B10TSHRALDH1A1CYP1A2NLRP3
SCHEMBL2384797 0.76 ALDH1A1 (0.65) ALDH1A1CYP1A2NLRP3PKMKMT2A
SCHEMBL26456643 0.74 MGLL (0.54) HSD17B10TSHRHDAC4
SCHEMBL21666142 0.73 SIRT2 (0.49) HSD17B10TSHRALDH1A1SIRT5HDAC4
SCHEMBL20152024 0.73 ALDH1A1 (0.61) HSD17B10ALDH1A1CYP1A2NLRP3PKM
SCHEMBL23729020 0.73 LTA4H (0.49) HSD17B10KMT2AMEN1NPC1RAB9A
SCHEMBL15317942 0.73 LMNA (0.46) HSD17B10TSHRALDH1A1CYP1A2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160130246-A1 THIOUREA COMPOUNDS AND THEIR USE AS INHIBITORS OF SIRT2 OR SIRT5 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-05-12 — — 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-20160130246-A1 THIOUREA COMPOUNDS AND THEIR USE AS INHIBITORS OF SIRT2 OR SIRT5 SIRT2, SIRT3, SIRT1 HSD17B10 1237/4885TSHR 373/4885ALDH1A1 1921/4885

“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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