SCHEMBL3068434

SCHEMBL3068434

Oc1ccc2cncc(I)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 8/20 0.46
CYP11B2 P19099 8/20 0.46
CYP17A1 P05093 7/20 0.46
CYP3A4 P08684 7/20 0.46
HSD17B1 P14061 1/20 0.42
LMNA P02545 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP1A2 P05177 1/20 0.35
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
CDK5 Q00535 2/20 0.35
CDK5R1 Q15078 2/20 0.35
ESR2 Q92731 3/20 0.34
ESR1 P03372 2/20 0.34
MCL1 Q07820 1/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL28986981 0.79 CYP11B1 (0.49) CYP11B1CYP11B2CYP17A1CYP3A4HSD17B1
SCHEMBL18848483 0.79 NOS1 (0.35)
SCHEMBL19705388 0.76 CYP1A2 (0.41) LMNACYP1A2ALDH1A1KMT2A
SCHEMBL18105406 0.76 KDM4E (0.38) CYP11B1CYP11B2CYP1A2PDGFRBPDGFRA
SCHEMBL27191756 0.76 CYP3A4 (0.46) CYP11B1CYP11B2CYP17A1CYP3A4HSD17B1
SCHEMBL1705948 0.72 ESR1 (0.46) CYP11B1CYP11B2CYP17A1CYP3A4HSD17B1
SCHEMBL6411897 0.71 MCL1 (0.53) CYP3A4HSD17B1LMNACYP1A2ESR2
SCHEMBL6109844 0.70 PRKCZ (0.46) CYP11B1CYP11B2CYP17A1CYP3A4LMNA
SCHEMBL28127492 0.68 CYP17A1 (0.50) CYP11B1CYP11B2CYP17A1CYP3A4HSD17B1
SCHEMBL18574396 0.68 HASPIN (0.44) CYP3A4LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9623021-B2 Nuclear receptor binding agents GTX, INC. (US) 2017-04-18 US disclosed
US-9604931-B2 Nuclear receptor binding agents GTX, INC. (US) 2017-03-28 US disclosed
US-20170014401-A1 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. 2017-01-19 US disclosed
US-20130150403-A1 NUCLEAR RECEPTOR BINDING AGENTS VA Long Beach Healthcare System (US) 2013-06-13 US disclosed
US-20100267767-A1 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. 2010-10-21 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 (3 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-20170014401-A1 NUCLEAR RECEPTOR BINDING AGENTS ESRRB, ESRRG, ESRRA CYP11B1 793/4885CYP11B2 1003/4885CYP17A1 227/4885
US-20130150403-A1 NUCLEAR RECEPTOR BINDING AGENTS FABP3, NCOR1, NR3C2 CYP11B1 163/4885CYP11B2 186/4885CYP17A1 997/4885
US-20100267767-A1 NUCLEAR RECEPTOR BINDING AGENTS FABP1, FABP4, ADIPOR2 CYP11B1 206/4885CYP11B2 214/4885CYP17A1 764/4885

“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.