SCHEMBL21654371

SCHEMBL21654371

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PRMT6 Q96LA8 1/20 0.38
▸ KCNH2 Q12809 1/20 0.37
▸ CA12 O43570 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ ERN1 O75460 1/20 0.35
▸ HDAC2 Q92769 8/20 0.35
▸ LTA4H P09960 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HDAC1 Q13547 7/20 0.34
▸ HDAC3 O15379 5/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ TNFRSF1A P19438 2/20 0.32

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
SCHEMBL21654139 0.85 KCNH2 (0.41) PRMT6KCNH2CA12CA9ERN1
SCHEMBL12187101 0.81 HDAC6 (0.36) KMT2A
SCHEMBL21654295 0.73 POLB (0.31) —
SCHEMBL21654340 0.73 KCNH2 (0.38) PRMT6KCNH2ERN1HDAC2LTA4H
SCHEMBL6193544 0.70 DPP4 (0.53) PRMT6KCNH2ERN1HDAC2LTA4H
SCHEMBL21654153 0.66 KMT2A (0.46) KMT2AALOX5PTGS1PTGS2
SCHEMBL7396854 0.66 KCNH2 (0.46) PRMT6KCNH2ERN1HDAC2LTA4H
SCHEMBL22733865 0.65 KCNH2 (0.48) PRMT6KCNH2ERN1LTA4HKMT2A
SCHEMBL2600074 0.64 HDAC6 (0.39) KMT2A
SCHEMBL18876355 0.63 ALDH1A1 (0.39) PRMT6KCNH2LTA4HKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10993938-B2 Lactam compound, preparation method and use thereof OCEAN UNIVERSITY OF CHINA (CN) 2021-05-04 — — US disclosed
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 (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-20200030312-A1 Lactam Compound, Preparation Method and Use thereof FURIN, PEPD, PIN1 PRMT6 1762/4885KCNH2 4596/4885CA12 2391/4885
US-10993938-B2 Lactam compound, preparation method and use thereof FURIN, PEPD, PIN1 PRMT6 1762/4885KCNH2 4596/4885CA12 2391/4885

“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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