SCHEMBL26296832

SCHEMBL26296832

CCCc1sc(NC(N)=S)c(C(N)=O)c1CCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.43
▸ ALDH1A1 P00352 12/20 0.40
▸ SMN1; SMN2 Q16637 5/20 0.40
▸ HPGD P15428 5/20 0.40
▸ MAPT P10636 5/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ RXFP1 Q9HBX9 2/20 0.39
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ HSD17B10 Q99714 4/20 0.37
▸ GAA P10253 1/20 0.36

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
SCHEMBL26296197 0.76 CYP1A2 (0.71) CYP1A2ALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL23323376 0.73 ALDH1A1 (0.46) CYP1A2ALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL23323474 0.72 ALDH1A1 (0.47) CYP1A2ALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL23325009 0.71 AIP (0.46) CYP1A2ALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL17022059 0.68 KCNH2 (0.47) ALDH1A1SMN1; SMN2HPGDMAPTKDM4E
SCHEMBL28068800 0.67 POLB (0.39) CYP1A2ALDH1A1SMN1; SMN2KDM4EKMT2A
SCHEMBL21347384 0.67 NPC1 (0.42) CYP1A2ALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL18015404 0.66 MEN1 (0.55) ALDH1A1SMN1; SMN2HPGDMAPTKDM4E
SCHEMBL17022065 0.66 CYP1A2 (0.41) CYP1A2ALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL14980643 0.63 PLK1 (0.33) ALDH1A1KMT2AMEN1POLBHSD17B10

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-20230293524-A1 OTIC FORMULATIONS FOR DRUG-INDUCED OTOTOXICITY SPIRAL THERAPEUTICS INC. 2023-09-21 — — 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-20230293524-A1 OTIC FORMULATIONS FOR DRUG-INDUCED OTOTOXICITY OTC, SLC26A4, OAT CYP1A2 985/4885ALDH1A1 121/4885SMN1; SMN2 2074/4885

“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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