SCHEMBL24500044

SCHEMBL24500044

Clc1ccc(I)c(Cn2ccnc2)c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.58
CYP11B1 P15538 6/20 0.58
CYP11B2 P19099 5/20 0.58
CYP2A6 P11509 1/20 0.58
CYP2B6 P20813 1/20 0.58
TBXAS1 P24557 3/20 0.57
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
QPCT Q16769 1/20 0.47
CYP4Z1 Q86W10 1/20 0.47
QPCTL Q9NXS2 1/20 0.47
ADRA2C P18825 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
SCHEMBL28198916 0.84 CYP19A1 (0.62) CYP19A1CYP11B1CYP11B2CYP2A6CYP2B6
SCHEMBL8936715 0.81 CYP11B1 (0.58) CYP19A1CYP11B1CYP11B2CYP2A6CYP2B6
SCHEMBL9748629 0.81 CYP19A1 (0.62) CYP19A1CYP11B1CYP11B2CYP2A6CYP2B6
SCHEMBL30474205 0.80 CYP11B1 (0.57) CYP19A1CYP11B1CYP11B2CYP2A6CYP2B6
SCHEMBL5306950 0.78 CYP11B1 (0.58) CYP19A1CYP11B1CYP11B2CYP2A6CYP2B6
SCHEMBL27217139 0.77 CYP11B1 (0.65) CYP19A1CYP11B1CYP11B2TBXAS1CYP1A2
SCHEMBL4858800 0.75 MEN1 (0.60) CYP19A1CYP11B1CYP11B2CYP2A6CYP2B6
SCHEMBL570342 0.74 CYP11B1 (1.00) CYP19A1CYP11B1CYP11B2CYP2A6CYP2B6
SCHEMBL11232352 0.74 CYP19A1 (0.57) CYP19A1CYP11B1CYP11B2CYP2A6CYP2B6
SCHEMBL13105206 0.73 CYP11B1 (0.58) CYP19A1CYP11B1CYP11B2CYP2A6CYP2B6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220177490-A1 COMPOUNDS HAVING BOTH EFFECTS OF BET BROMODOMAIN PROTEIN INHIBITION AND PD-L1 GENE REGULATION MEDSHINE DISCOVERY INC. (CN) 2022-06-09 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-20220177490-A1 COMPOUNDS HAVING BOTH EFFECTS OF BET BROMODOMAIN PROTEIN INHIBITION AND PD-L1 GENE REGULATION BET1, BRD4, BRD3 CYP19A1 4182/4885CYP11B1 3110/4885CYP11B2 3293/4885

“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.