SCHEMBL3746574

SCHEMBL3746574

c1ccc2c(c1)C1c3ccccc3C2C(n2ccnc2)C1n1ccnc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 11/20 0.59
CYP3A4 P08684 3/20 0.39
CYP11B1 P15538 3/20 0.36
CYP11B2 P19099 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
MAPT P10636 2/20 0.36
TBXAS1 P24557 2/20 0.36
POLB P06746 1/20 0.36
QPCT Q16769 1/20 0.36
CYP4Z1 Q86W10 1/20 0.36
QPCTL Q9NXS2 1/20 0.36
LMNA P02545 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP2C9 P11712 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL3757141 0.88 CYP19A1 (0.51) CYP19A1CYP3A4CYP11B1CYP11B2CYP1A2
SCHEMBL9633309 0.74 CYP19A1 (1.00) CYP19A1CYP3A4CYP11B1CYP11B2CYP1A2
SCHEMBL9367361 0.72 CYP19A1 (0.69) CYP19A1CYP3A4CYP11B1CYP11B2CYP1A2
SCHEMBL9634666 0.71 CYP19A1 (0.67) CYP19A1CYP11B1CYP11B2CYP2D6TBXAS1
SCHEMBL27277223 0.69 CYP19A1 (0.51) CYP19A1CYP3A4CYP11B1CYP11B2CYP1A2
SCHEMBL10859057 0.69 CYP19A1 (0.43) CYP19A1POLB
SCHEMBL2818075 0.69 CYP19A1 (0.50) CYP19A1TBXAS1MEN1KMT2ACYP17A1
SCHEMBL966690 0.68 CYP17A1 (0.59) CYP19A1CYP11B1CYP11B2TBXAS1IDO1
SCHEMBL28065635 0.67 CYP19A1 (0.49) CYP19A1CYP17A1
SCHEMBL27626734 0.67 CYP19A1 (0.49) CYP19A1CYP3A4CYP11B1CYP11B2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8691998-B2 Catalysts containing N-heterocyclic carbenes for enantioselective synthesis UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2014-04-08 US disclosed
US-20130190508-A1 CATALYSTS CONTAINING N-HETEROCYCLIC CARBENES FOR ENANTIOSELECTIVE SYNTHESIS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2013-07-25 US disclosed
US-20130190508-A1 CATALYSTS CONTAINING N-HETEROCYCLIC CARBENES FOR ENANTIOSELECTIVE SYNTHESIS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2013-07-25 US disclosed
US-20130190508-A1 CATALYSTS CONTAINING N-HETEROCYCLIC CARBENES FOR ENANTIOSELECTIVE SYNTHESIS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2013-07-25 US disclosed
US-8455661-B2 Catalysts containing N-heterocyclic carbenes for enantioselective synthesis UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2013-06-04 US disclosed
US-8455661-B2 Catalysts containing N-heterocyclic carbenes for enantioselective synthesis UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2013-06-04 US disclosed
US-8455661-B2 Catalysts containing N-heterocyclic carbenes for enantioselective synthesis UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2013-06-04 US disclosed
US-20100292465-A1 CATALYSTS CONTAINING N-HETEROCYCLIC CARBENES FOR ENANTIOSELECTIVE SYNTHESIS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2010-11-18 US disclosed
US-20100292465-A1 CATALYSTS CONTAINING N-HETEROCYCLIC CARBENES FOR ENANTIOSELECTIVE SYNTHESIS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2010-11-18 US disclosed
US-20100292465-A1 CATALYSTS CONTAINING N-HETEROCYCLIC CARBENES FOR ENANTIOSELECTIVE SYNTHESIS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2010-11-18 US 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-20100292465-A1 CATALYSTS CONTAINING N-HETEROCYCLIC CARBENES FOR ENANTIOSELECTIVE SYNTHESIS NDC1, NBAS, NIT2 CYP19A1 1033/4885CYP3A4 312/4885CYP11B1 783/4885

“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.