SCHEMBL914501

SCHEMBL914501

O=c1nc(-c2cccs2)oc2ccc(Cl)cc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.64
▸ KDM4E B2RXH2 7/20 0.64
▸ NPC1 O15118 2/20 0.60
▸ RAB9A P51151 2/20 0.60
▸ LMNA P02545 1/20 0.60
▸ CASP3 P42574 1/20 0.60
▸ SENP7 Q9BQF6 1/20 0.60
▸ MAPT P10636 4/20 0.56
▸ MEN1 O00255 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ GAA P10253 2/20 0.56
▸ POLB P06746 2/20 0.56
▸ USP2 O75604 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ HSD17B10 Q99714 3/20 0.49
▸ TP53 P04637 2/20 0.49
▸ GFER P55789 1/20 0.49
▸ HPGD P15428 3/20 0.47
▸ F2 P00734 1/20 0.47

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
SCHEMBL915809 0.83 ALDH1A1 (0.61) ALDH1A1KDM4ENPC1RAB9ALMNA
SCHEMBL914097 0.76 ALDH1A1 (0.81) ALDH1A1KDM4ENPC1RAB9ALMNA
SCHEMBL914413 0.74 ALDH1A1 (0.60) ALDH1A1KDM4ENPC1RAB9ALMNA
SCHEMBL6032369 0.74 ALDH1A1 (0.54) ALDH1A1KDM4ENPC1RAB9AMAPT
SCHEMBL6469479 0.73 MAOA (0.59) ALDH1A1KDM4ENPC1RAB9ACASP3
SCHEMBL6762328 0.72 MAOA (0.48) ALDH1A1KDM4ENPC1RAB9ACASP3
SCHEMBL914362 0.72 ALDH1A1 (0.67) ALDH1A1KDM4ENPC1RAB9ALMNA
SCHEMBL30727507 0.70 GPR119 (0.59) ALDH1A1KDM4ENPC1RAB9ALMNA
SCHEMBL25027923 0.70 KDM4E (0.71) ALDH1A1KDM4ENPC1RAB9AMAPT
SCHEMBL28426415 0.69 KDM4E (0.72) ALDH1A1KDM4ENPC1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7872052-B2 Use of heterocyclic compounds as SCCE inhibitors AREXIS AB (SE) 2011-01-18 — — US claimed
US-20060258651-A1 Use of heterocyclic compounds as scce inhibitors QUANTUM LTO HOLDINGS, LLC 2006-11-16 — — US claimed
EP-1631295-A2 USE OF FUSED HETEROCYCLIC COMPOUNDS AS SCCE INHIBITORS FOR THE TREATMENT OF SKIN CONDITIONS OR CANCER Arexis AB (SE) 2006-03-08 — — EP claimed
WO-2004108139-A2 USE OF FUSED HETEROCYCLIC COMPOUNDS AS SCCE INHIBITORS FOR THE TREATMENT OF SKIN CONDITIONS OR CANCER AREXIS AB (SE) 2004-12-16 — — WO claimed
US-7872052-B2 Use of heterocyclic compounds as SCCE inhibitors AREXIS AB (SE) 2011-01-18 — — US disclosed
US-20060258651-A1 Use of heterocyclic compounds as scce inhibitors QUANTUM LTO HOLDINGS, LLC 2006-11-16 — — US disclosed
EP-1631295-A2 USE OF FUSED HETEROCYCLIC COMPOUNDS AS SCCE INHIBITORS FOR THE TREATMENT OF SKIN CONDITIONS OR CANCER Arexis AB (SE) 2006-03-08 — — EP disclosed
WO-2004108139-A2 USE OF FUSED HETEROCYCLIC COMPOUNDS AS SCCE INHIBITORS FOR THE TREATMENT OF SKIN CONDITIONS OR CANCER AREXIS AB (SE) 2004-12-16 — — WO 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-20060258651-A1 Use of heterocyclic compounds as scce inhibitors RCE1, CTSE, SPINT2 ALDH1A1 584/4885KDM4E 1362/4885NPC1 4151/4885

“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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