SCHEMBL21733481

SCHEMBL21733481

COc1ccc(CN(Cc2ccc(OC)cc2)c2cc3ccccc3c(C3=CC(=O)CCC3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 2/20 0.36
CYP1A2 P05177 1/20 0.36
CHRM2 P08172 1/20 0.36
CYP3A4 P08684 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
DRD1 P21728 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
SLC6A4 P31645 1/20 0.36
CYP2C19 P33261 1/20 0.36
HRH1 P35367 1/20 0.36
OPRM1 P35372 1/20 0.36
HTR2B P41595 1/20 0.36
SLC6A3 Q01959 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
SCHEMBL21733792 0.81 LMNA (0.35) ALDH1A1KMT2AMEN1LMNACYP1A2
SCHEMBL21733455 0.79 ALDH1A1 (0.37) ALDH1A1KMT2AMEN1LMNACYP3A4
SCHEMBL21733720 0.78 ALDH1A1 (0.35) ALDH1A1KMT2AMEN1LMNACYP1A2
SCHEMBL29200748 0.74 MEN1 (0.49) ALDH1A1KMT2AMEN1LMNACYP1A2
SCHEMBL30803652 0.74 MEN1 (0.49) ALDH1A1KMT2AMEN1LMNACYP1A2
SCHEMBL29999713 0.74 MEN1 (0.44) ALDH1A1KMT2AMEN1LMNACYP1A2
SCHEMBL21733480 0.74 MEN1 (0.44) ALDH1A1KMT2AMEN1LMNACYP1A2
SCHEMBL30803568 0.70 MEN1 (0.41) ALDH1A1KMT2AMEN1LMNACYP1A2
SCHEMBL28903971 0.69 NPC1 (0.51) ALDH1A1KMT2AMEN1LMNACYP1A2
SCHEMBL3961649 0.64 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1CYP1A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112119075-B Condensed ring compound 豪夫迈·罗氏有限公司 2024-03-12 CN disclosed
US-11760744-B2 Fused ring compounds GENENTECH, INC. (US) 2023-09-19 US disclosed
CN-112119075-A Fused ring compound 豪夫迈·罗氏有限公司 2020-12-22 CN disclosed
WO-2020035031-A1 FUSED RING COMPOUNDS GENENTECH, INC. (US) 2020-02-20 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-11760744-B2 Fused ring compounds KRAS, NRAS, HRAS ALDH1A1 3678/4885KMT2A 3557/4885MEN1 2354/4885

“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.