SCHEMBL3757141

SCHEMBL3757141

NC1C2c3ccccc3C(c3ccccc32)C1n1ccnc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 12/20 0.51
CYP3A4 P08684 3/20 0.34
LMNA P02545 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2D6 P10635 2/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP2C9 P11712 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32
PMP22 Q01453 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TBXAS1 P24557 3/20 0.32
CYP11B1 P15538 2/20 0.32
CYP11B2 P19099 2/20 0.32
POLB P06746 1/20 0.32
QPCT Q16769 1/20 0.32
CYP4Z1 Q86W10 1/20 0.32

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
SCHEMBL3746574 0.88 CYP19A1 (0.59) CYP19A1CYP3A4LMNACYP1A2CYP2D6
SCHEMBL9633309 0.68 CYP19A1 (1.00) CYP19A1CYP3A4CYP1A2CYP2D6MAPT
SCHEMBL12955323 0.66 HTR2A (0.42) CYP3A4MAPTMEN1KMT2AALDH1A1
SCHEMBL2481266 0.66 HTR2A (0.42) CYP3A4MAPTMEN1KMT2AALDH1A1
SCHEMBL4624670 0.66 HTR2A (0.42) CYP3A4MAPTMEN1KMT2AALDH1A1
SCHEMBL30065822 0.66 HTR2A (0.42) CYP3A4MAPTMEN1KMT2AALDH1A1
SCHEMBL2481267 0.66 HTR2A (0.42) CYP3A4MAPTMEN1KMT2AALDH1A1
SCHEMBL9367361 0.66 CYP19A1 (0.69) CYP19A1CYP3A4CYP1A2CYP2D6MAPT
SCHEMBL9634666 0.64 CYP19A1 (0.67) CYP19A1CYP2D6TBXAS1CYP11B1CYP11B2
SCHEMBL28780708 0.64 CYP19A1 (0.51) CYP19A1CYP3A4TBXAS1TSHRCYP17A1

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 11 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
WO-2008101197-A1 CATALYSTS CONTAINING N-HETEROCYCLIC CARBENES FOR ENANTIOSELECTIVE SYNTHESIS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2008-08-21 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-20100292465-A1 CATALYSTS CONTAINING N-HETEROCYCLIC CARBENES FOR ENANTIOSELECTIVE SYNTHESIS NDC1, NBAS, NIT2 CYP19A1 1033/4885CYP3A4 312/4885LMNA 1918/4885

“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.