SCHEMBL6030397

SCHEMBL6030397

COC(=O)c1cc(-c2ccc(OCc3ccccc3)cc2)[nH]n1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.48
LMNA P02545 2/20 0.48
SMPD1 P17405 1/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MCL1 Q07820 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PRMT5 O14744 1/20 0.46
IKBKE Q14164 1/20 0.46
POLB P06746 1/20 0.46
MAOB P27338 1/20 0.46
GSTP1 P09211 1/20 0.46
MDM2 Q00987 1/20 0.46
NR4A2 P43354 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL70249 0.88 GABRA1 (0.54) GSK3BLMNANPC1RAB9AMCL1
SCHEMBL31130309 0.88 MRGPRX4 (0.47) SMPD1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL2819762 0.88 MCL1 (0.58) LMNASMPD1MCL1MEN1KMT2A
SCHEMBL6029890 0.86 MCL1 (0.57) LMNASMPD1MCL1ALDH1A1GSTP1
Lithium Ion SCHEMBL6029887 0.84 MCL1 (0.49) GSK3BSMPD1MCL1PRMT5IKBKE
SCHEMBL1221564 0.83 MEN1 (0.61) LMNANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL6029388 0.81 RAB9A (0.53) LMNANPC1RAB9AMEN1KMT2A
SCHEMBL8368151 0.81 MAPT (0.58) LMNANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL6030305 0.79 GPR34 (0.58)
SCHEMBL3713623 0.79 MCL1 (0.57) GSK3BLMNASMPD1NPC1RAB9A

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-20060247260-A1 Bis (hetero) aryl carboxamide derivatives for use as PG12 antagonists BAYER HEALTHCARE AG (DE) 2006-11-02 US disclosed
EP-1594846-A1 BIS(HETERO)ARYL CARBOXAMIDE DERIVATIVES FOR USE AS PGI2 ANTAGONISTS Bayer HealthCare AG (DE) 2005-11-16 EP disclosed
WO-2005007143-A2 USE OF MAKROLIDES AND KETOLIDES FOR THE TREATMENT OF TUBERCULOSIS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2005-01-27 WO disclosed
WO-2004069805-A1 BIS(HETERO)ARYL CARBOXAMIDE DERIVATIVES FOR USE AS PGI2 ANTAGONISTS BAYER HEALTHCARE AG (DE) 2004-08-19 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-20060247260-A1 Bis (hetero) aryl carboxamide derivatives for use as PG12 antagonists HRH2, BPHL, HRH1 GSK3B 3718/4885LMNA 2162/4885SMPD1 3779/4885

“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.