SCHEMBL30745503

SCHEMBL30745503

O=C(Nc1ccc(C2SCCS2)cc1)[C@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.51
RCOR1 Q9UKL0 1/20 0.51
ALDH1A1 P00352 4/20 0.49
TSHR P16473 1/20 0.49
KDM4E B2RXH2 2/20 0.49
LMNA P02545 1/20 0.49
HSD17B10 Q99714 1/20 0.48
PABPC1 P11940 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 3/20 0.45
GAA P10253 2/20 0.44
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPC1 O15118 2/20 0.43
POLB P06746 1/20 0.42
PREP P48147 1/20 0.41
F2 P00734 1/20 0.41
RAB9A P51151 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
SCHEMBL27011282 1.00 KDM1A (0.51) KDM1ARCOR1ALDH1A1TSHRKDM4E
SCHEMBL27011325 1.00 KDM1A (0.51) KDM1ARCOR1ALDH1A1TSHRKDM4E
SCHEMBL30745512 1.00 KDM1A (0.51) KDM1ARCOR1ALDH1A1TSHRKDM4E
SCHEMBL26140160 0.85 KDM4E (0.54) KDM1ARCOR1ALDH1A1TSHRKDM4E
SCHEMBL14723747 0.79 NPC1 (0.54) KDM1ARCOR1ALDH1A1TSHRKDM4E
SCHEMBL29368134 0.79 F2 (0.51) KDM1ARCOR1ALDH1A1TSHRKDM4E
SCHEMBL16376892 0.79 F2 (0.48) ALDH1A1TSHRKDM4ELMNAMAPK1
SCHEMBL10136487 0.79 F2 (0.48) ALDH1A1TSHRKDM4ELMNAMAPK1
SCHEMBL31188287 0.78 NPC1 (0.57) KDM1ARCOR1ALDH1A1TSHRKDM4E
SCHEMBL27006225 0.78 NPC1 (0.50) KDM1ARCOR1ALDH1A1TSHRKDM4E

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-20240018129-A1 COMPOUNDS AS PU. 1 INHIBITORS S-Infinity Pharmaceuticals (CN) 2024-01-18 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-20240018129-A1 COMPOUNDS AS PU. 1 INHIBITORS FLI1, MCL1, SP1 KDM1A 455/4885RCOR1 175/4885ALDH1A1 312/4885

“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.