SCHEMBL916067

SCHEMBL916067

O=c1oc(-c2cccc(C(F)(F)F)c2)nc2ccsc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.65
▸ RAB9A P51151 4/20 0.55
▸ NPC1 O15118 3/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ HTT P42858 3/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ NOTUM Q6P988 2/20 0.49
▸ CASP3 P42574 1/20 0.47
▸ F7 P08709 1/20 0.44
▸ F3 P13726 1/20 0.44
▸ UTRN P46939 1/20 0.43
▸ PGR P06401 1/20 0.42
▸ ELANE P08246 1/20 0.40
▸ PTPN2 P17706 3/20 0.40
▸ PTPN1 P18031 3/20 0.40
▸ PTPN5 P54829 3/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL6032232 0.80 NOTUM (0.49) MAPTRAB9ANPC1SMN1; SMN2HTT
SCHEMBL913579 0.80 MAPT (1.00) MAPTRAB9ANPC1SMN1; SMN2HTT
SCHEMBL10344443 0.78 ELANE (0.66) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL7186075 0.76 F7 (0.54) MAPTRAB9ANPC1HTTKMT2A
SCHEMBL912820 0.75 PBRM1 (0.67) NOTUMCASP3F7F3UTRN
SCHEMBL10741223 0.75 HPN (0.61) MAPTRAB9ANPC1SMN1; SMN2HTT
SCHEMBL5385451 0.75 HPN (0.52) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL4260589 0.75 MAPT (0.40) MAPTRAB9ANPC1SMN1; SMN2HTT
SCHEMBL914214 0.74 MAPT (1.00) MAPTRAB9ANPC1SMN1; SMN2HTT
SCHEMBL14273715 0.74 KDM4E (0.58) MAPTSMN1; SMN2HTTMEN1KMT2A

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 4 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
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
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 MAPT 2054/4885RAB9A 3514/4885NPC1 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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