SCHEMBL4367998

SCHEMBL4367998

Clc1cc(Oc2ccc(OCc3ccccc3)cc2)ccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
PTGS1 P23219 1/20 0.49
SLC6A2 P23975 1/20 0.49
CYP2C19 P33261 1/20 0.49
PTGS2 P35354 1/20 0.49
SLC6A3 Q01959 1/20 0.49
HIF1A Q16665 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
MAOB P27338 3/20 0.47
RAB9A P51151 3/20 0.47
MAPT P10636 2/20 0.47
GAA P10253 1/20 0.47
MAOA P21397 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALOX5 P09917 1/20 0.46
FFAR1 O14842 3/20 0.46
FFAR4 Q5NUL3 2/20 0.46
CYP3A4 P08684 1/20 0.46

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
SCHEMBL190551 0.89 ALOX5 (0.53) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL30339592 0.89 ALOX5 (0.53) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL31336124 0.86 ALOX5 (0.50) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL190319 0.84 LTA4H (0.48) LMNAMAOBRAB9AMAPTGAA
SCHEMBL8721952 0.81 PTGER1 (0.44) CYP2C19MAOBALOX5CYP3A4PRMT5
SCHEMBL4308635 0.80 F2 (0.62) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL5538712 0.80 LMNA (0.72) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL4363917 0.79 MAOB (0.54) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL3370181 0.79 GRM5 (0.52) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL4363922 0.78 GCK (0.51) LMNACYP1A2PTGS1SLC6A2CYP2C19

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-7531553-B2 Heterocyclic compounds and methods of use AMGEN INC. (US) 2009-05-12 US disclosed
EP-1638954-A1 FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS AMGEN INC. (US) 2006-03-29 EP disclosed
US-20040209892-A1 Heterocyclic compounds and methods of use U.S. PATENT OPERATIONS 2004-10-21 US disclosed
WO-2004085425-A1 FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS AMGEN INC (US) 2004-10-07 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-20040209892-A1 Heterocyclic compounds and methods of use VHL, NQO1, HPGDS LMNA 2395/4885CYP1A2 76/4885PTGS1 38/4885

“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.