SCHEMBL5849595

SCHEMBL5849595

Cc1ccc(-c2ccc3oc(C)nc3c2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.77
GAA P10253 3/20 0.77
SMN1; SMN2 Q16637 8/20 0.59
KDM4E B2RXH2 8/20 0.59
ALDH1A1 P00352 8/20 0.59
NPC1 O15118 7/20 0.59
RAB9A P51151 7/20 0.59
HPGD P15428 6/20 0.59
TP53 P04637 4/20 0.59
HSD17B10 Q99714 4/20 0.59
STAT1 P42224 1/20 0.55
MAPT P10636 5/20 0.53
NFKB1 P19838 4/20 0.53
NFKB2 Q00653 4/20 0.53
RELA Q04206 4/20 0.53
LMNA P02545 1/20 0.53
POLB P06746 2/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 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
SCHEMBL13528421 0.92 L3MBTL1 (0.82) L3MBTL1GAASMN1; SMN2KDM4EALDH1A1
SCHEMBL30612644 0.87 L3MBTL1 (1.00) L3MBTL1GAASMN1; SMN2KDM4EALDH1A1
SCHEMBL1634416 0.87 L3MBTL1 (1.00) L3MBTL1GAASMN1; SMN2KDM4EALDH1A1
SCHEMBL14790239 0.85 L3MBTL1 (0.57) L3MBTL1GAASMN1; SMN2KDM4EALDH1A1
SCHEMBL29442076 0.84 NPC1 (0.61) L3MBTL1GAASMN1; SMN2KDM4EALDH1A1
SCHEMBL9105844 0.84 NPC1 (0.61) L3MBTL1GAASMN1; SMN2KDM4EALDH1A1
SCHEMBL903255 0.84 NPC1 (0.61) L3MBTL1GAASMN1; SMN2KDM4EALDH1A1
Iodide SCHEMBL8417295 0.82 NPC1 (0.59) L3MBTL1GAASMN1; SMN2KDM4EALDH1A1
SCHEMBL30385875 0.82 KDM4E (0.58) L3MBTL1GAASMN1; SMN2KDM4EALDH1A1
SCHEMBL28874458 0.82 ALDH1A1 (0.56) L3MBTL1GAASMN1; SMN2KDM4EALDH1A1

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
EP-2758398-B1 SUBSTITUTED N- [1-CYANO-2- (PHENYL) ETHYL]-2-AZABICYCLO [2.2.1]HEPTANE-3-CARBOXAMIDE INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INT (DE) 2017-08-02 EP disclosed
EP-1306131-B1 Cross-coupling process using a catalyst comprising a cyclic nitrogen ligand SUMITOMO CHEMICAL CO (JP) 2016-12-07 EP disclosed
US-20060111593-A1 Coupling catalyst and process using the same SUMITOMO CHEMICAL COMPANY, LIMITED 2006-05-25 US disclosed
US-7041856-B2 Coupling catalyst and process using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-05-09 US disclosed
US-20030162950-A1 Coupling catalyst and process using the same SUMITOMO CHEMICAL COMPANY, LIMITED 2003-08-28 US disclosed
EP-1306131-A2 Cross-Coupling catalyst comprising a cyclic nitrogen ligand and process using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-05-02 EP 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-20030162950-A1 Coupling catalyst and process using the same NOD1, PYM1, C9 L3MBTL1 3554/4885GAA 4153/4885SMN1; SMN2 990/4885
US-20060111593-A1 Coupling catalyst and process using the same RPL22, C9, RBM22 L3MBTL1 3379/4885GAA 3810/4885SMN1; SMN2 1002/4885

“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.