SCHEMBL22003808

SCHEMBL22003808

Cn1c(-c2cccc(F)c2)cc2cc(Cl)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACLY P53396 6/20 0.49
▸ KMT2A Q03164 2/20 0.45
▸ FYN P06241 2/20 0.45
▸ CYP19A1 P11511 1/20 0.42
▸ HSD11B1 P28845 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ GABRP O00591 1/20 0.38
▸ GABRD O14764 1/20 0.38
▸ GABRA1 P14867 1/20 0.38
▸ GABRB1 P18505 1/20 0.38
▸ GABRG2 P18507 1/20 0.38
▸ GABRB3 P28472 1/20 0.38
▸ GABRA5 P31644 1/20 0.38
▸ GABRA3 P34903 1/20 0.38
▸ GABRA2 P47869 1/20 0.38
▸ GABRB2 P47870 1/20 0.38
▸ GABRA4 P48169 1/20 0.38

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
SCHEMBL8942357 0.83 KMT2A (0.66) ACLYKMT2ACYP19A1MEN1ALDH1A1
SCHEMBL22003807 0.82 ACLY (0.47) ACLYKMT2AMEN1ALDH1A1THRB
SCHEMBL22022092 0.80 ACLY (0.54) ACLYKMT2AFYNCYP19A1RXFP1
SCHEMBL7799883 0.79 KMT2A (0.50) ACLYKMT2ACYP19A1HSD11B1RXFP1
SCHEMBL22004110 0.79 ACLY (0.57) ACLYKMT2AHSD11B1
SCHEMBL22004304 0.78 ACLY (0.63) ACLYKMT2ACYP19A1
SCHEMBL18470558 0.78 KMT2A (0.46) ACLYKMT2ACYP19A1RXFP1MEN1
SCHEMBL17199119 0.77 KMT2A (0.45) KMT2ACYP19A1ALDH1A1MAPT
SCHEMBL11688437 0.76 KMT2A (0.66) ACLYKMT2ACYP19A1MEN1ALDH1A1
SCHEMBL24115004 0.75 AOC3 (0.53) ACLYKMT2ACYP19A1ALDH1A1KDM4E

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-20200157076-A1 ACLY INHIBITORS AND USES THEREOF NIMBUS DISCOVERY, INC. 2020-05-21 — — 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 (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-20200157076-A1 ACLY INHIBITORS AND USES THEREOF ACLY, ATP5ME, ATP5MG ACLY 1/4885KMT2A 1976/4885FYN 4726/4885

“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.

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