SCHEMBL914426

SCHEMBL914426

O=c1oc(-c2ccco2)nc2sccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.58
▸ ALDH1A1 P00352 8/20 0.58
▸ HPGD P15428 5/20 0.58
▸ ELANE P08246 3/20 0.58
▸ NPSR1 Q6W5P4 2/20 0.58
▸ F2 P00734 2/20 0.55
▸ KMT2A Q03164 4/20 0.54
▸ MAPT P10636 4/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ CASP3 P42574 2/20 0.50
▸ HTT P42858 2/20 0.50
▸ SENP7 Q9BQF6 2/20 0.50
▸ SENP6 Q9GZR1 2/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ NPC1 O15118 3/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ HSD17B10 Q99714 4/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48

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
SCHEMBL914639 0.76 ALDH1A1 (0.64) KDM4EALDH1A1HPGDELANENPSR1
SCHEMBL5921477 0.74 ALDH1A1 (1.00) KDM4EALDH1A1HPGDELANENPSR1
SCHEMBL4395617 0.72 MAPT (0.61) KDM4EALDH1A1ELANEKMT2AMAPT
SCHEMBL914356 0.71 F2 (1.00) KDM4EALDH1A1HPGDELANENPSR1
SCHEMBL7394044 0.71 KDM4E (0.62) KDM4EALDH1A1HPGDELANENPSR1
SCHEMBL912881 0.70 ALDH1A1 (1.00) KDM4EALDH1A1HPGDELANENPSR1
SCHEMBL915753 0.70 ALDH1A1 (0.65) KDM4EALDH1A1HPGDELANENPSR1
SCHEMBL7394213 0.70 ALDH1A1 (0.69) KDM4EALDH1A1HPGDELANENPSR1
SCHEMBL11872100 0.69 ELANE (0.58) KDM4EALDH1A1ELANEKMT2AMAPT
SCHEMBL11845658 0.69 GGPS1 (0.57) KDM4EALDH1A1HPGDKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000030646-A1 HETEROCYCLIC COMPOUNDS REGULATING CLOTTING NOVO NORDISK A/S (DK) 2000-06-02 — — WO claimed
US-7872052-B2 Use of heterocyclic compounds as SCCE inhibitors AREXIS AB (SE) 2011-01-18 — — US disclosed
EP-1631295-B1 USE OF CONDENSED HETEROCYCLIC COMPOUNDS AS SCCE INHIBITORS FOR THE TREATMENT OF SKIN DISEASES AREXIS AB (SE) 2010-03-03 — — EP 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
WO-2000030646-A1 HETEROCYCLIC COMPOUNDS REGULATING CLOTTING NOVO NORDISK A/S (DK) 2000-06-02 — — 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 KDM4E 1362/4885ALDH1A1 584/4885HPGD 73/4885

“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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