SCHEMBL914362

SCHEMBL914362

O=c1oc(-c2cccs2)nc2c(Cl)cc(Cl)cc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.67
▸ KDM4E B2RXH2 10/20 0.67
▸ SMN1; SMN2 Q16637 7/20 0.56
▸ HPGD P15428 5/20 0.56
▸ MEN1 O00255 4/20 0.56
▸ KMT2A Q03164 4/20 0.56
▸ F2 P00734 1/20 0.56
▸ CYP1A2 P05177 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ HSD17B10 Q99714 5/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ MAPT P10636 5/20 0.46
▸ GAA P10253 4/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ CASP1 P29466 2/20 0.46
▸ NPC1 O15118 4/20 0.44
▸ RAB9A P51151 4/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ CASP3 P42574 1/20 0.43

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
SCHEMBL12758406 0.83 ALDH1A1 (0.45) ALDH1A1KDM4ESMN1; SMN2HPGDMEN1
SCHEMBL914097 0.77 ALDH1A1 (0.81) ALDH1A1KDM4ESMN1; SMN2HPGDMEN1
SCHEMBL8068649 0.75 HSD17B10 (0.69) ALDH1A1KDM4ESMN1; SMN2HPGDMEN1
SCHEMBL914501 0.72 ALDH1A1 (0.64) ALDH1A1KDM4ESMN1; SMN2HPGDMEN1
SCHEMBL913374 0.72 ALDH1A1 (1.00) ALDH1A1KDM4ESMN1; SMN2HPGDMEN1
SCHEMBL914639 0.72 ALDH1A1 (0.64) ALDH1A1KDM4ESMN1; SMN2HPGDMEN1
SCHEMBL915806 0.70 HSD17B10 (0.67) ALDH1A1KDM4ESMN1; SMN2HPGDMEN1
SCHEMBL8075316 0.70 ELANE (0.62) ALDH1A1KDM4ESMN1; SMN2HPGDMEN1
SCHEMBL8059748 0.70 HSD17B10 (0.66) ALDH1A1KDM4ESMN1; SMN2HPGDMEN1
SCHEMBL2965645 0.70 KDM4E (0.49) ALDH1A1KDM4ESMN1; SMN2HPGDMEN1

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 6 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 disclosed
US-20090239982-A1 Ultraviolet Absorbent and Heterocyclic Compound FUJIFILM CORPORATION (JP) 2009-09-24 — — US disclosed
US-20090239982-A1 Ultraviolet Absorbent and Heterocyclic Compound FUJIFILM CORPORATION (JP) 2009-09-24 — — 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 (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-20060258651-A1 Use of heterocyclic compounds as scce inhibitors RCE1, CTSE, SPINT2 ALDH1A1 584/4885KDM4E 1362/4885SMN1; SMN2 3806/4885
US-20090239982-A1 Ultraviolet Absorbent and Heterocyclic Compound CYP2A6, CYP2B6, XPO6 ALDH1A1 1360/4885KDM4E 2273/4885SMN1; SMN2 4233/4885

“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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