SCHEMBL21654340

SCHEMBL21654340

CC(C)/C=C/c1cc(-c2cccs2)cs1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.38
▸ ERN1 O75460 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ PRMT6 Q96LA8 1/20 0.36
▸ HDAC2 Q92769 3/20 0.35
▸ HDAC3 O15379 2/20 0.35
▸ HDAC1 Q13547 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ CYP2E1 P05181 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
SCHEMBL22022356 0.78 HDAC6 (0.36) ALDH1A1CYP2E1CYP2A6CYP2B6
SCHEMBL21654139 0.77 KCNH2 (0.41) KCNH2ERN1PRMT6HDAC2HDAC3
SCHEMBL9967766 0.75 CYP1A1 (0.49) ALDH1A1CYP1A2LMNAKMT2ASMN1; SMN2
SCHEMBL6193544 0.74 DPP4 (0.53) KCNH2ERN1PRMT6HDAC2CYP2E1
SCHEMBL21654371 0.73 PRMT6 (0.38) KCNH2ERN1PRMT6HDAC2HDAC3
SCHEMBL16159964 0.71 HDAC2 (0.41) ERN1ALDH1A1HDAC2HDAC3HDAC1
SCHEMBL7266721 0.70 HDAC1 (0.40) KCNH2ERN1PRMT6HDAC2HDAC3
SCHEMBL7396854 0.70 KCNH2 (0.46) KCNH2ERN1ALDH1A1CYP1A2PRMT6
SCHEMBL21654049 0.70 DAO (0.32) —
SCHEMBL16884373 0.69 PDGFRB (0.44) KCNH2ERN1ALDH1A1PRMT6MEN1

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-20200030312-A1 Lactam Compound, Preparation Method and Use thereof OCEAN UNIVERSITY OF CHINA (CN) 2020-01-30 — — 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-20200030312-A1 Lactam Compound, Preparation Method and Use thereof FURIN, PEPD, PIN1 KCNH2 4596/4885ERN1 1467/4885ALDH1A1 4014/4885

“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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