SCHEMBL22692452

SCHEMBL22692452

Cc1nc(C2=CCCC=C2)cs1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.37
▸ GAA P10253 3/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ RECQL P46063 2/20 0.37
▸ POLB P06746 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ ESR2 Q92731 1/20 0.37
▸ RAB9A P51151 6/20 0.36
▸ NPC1 O15118 4/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ TSHR P16473 2/20 0.36
▸ HTT P42858 2/20 0.35
▸ ECE1 P42892 1/20 0.34
▸ PKM P14618 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ TRIM24 O15164 1/20 0.33

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
SCHEMBL25140517 0.80 — —
SCHEMBL19070090 0.75 — —
SCHEMBL24359598 0.71 GAA (0.52) ALDH1A1GAAKDM4ERECQLPOLB
SCHEMBL22692440 0.71 MAPT (0.59) ALDH1A1GAAKDM4ERECQLPOLB
SCHEMBL25140637 0.69 RAB9A (0.35) ALDH1A1GAAKDM4EPOLBMAPT
SCHEMBL19447578 0.68 CCR1 (0.52) RECQL
SCHEMBL8472582 0.68 ALDH1A1 (0.37) ALDH1A1HPGD
SCHEMBL23714944 0.67 GAA (0.42) ALDH1A1GAAKDM4ERECQLPOLB
SCHEMBL13270383 0.66 NPC1 (0.36) GAAKDM4EPOLBHPGDMAPT
SCHEMBL22692417 0.63 RECQL (0.38) ALDH1A1GAAKDM4ERECQLPOLB

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
EP-3799871-B1 PYRAZOL-3-ONES THAT ACTIVATE PRO-APOTOTIC BAX DANA FARBER CANCER INST INC (US) 2024-02-28 — — EP disclosed
US-10844053-B2 Pyrazol-3-ones that activate pro-apoptotic BAX DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-11-24 — — 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-10844053-B2 Pyrazol-3-ones that activate pro-apoptotic BAX BAX, BAD, CASP3 ALDH1A1 3612/4885GAA 1708/4885KDM4E 4573/4885

“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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