SCHEMBL13044655

SCHEMBL13044655

Cc1nc(Br)ccc1NCC(C)C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.40
ESR1 P03372 6/20 0.38
KDM6B O15054 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
TLR7 Q9NYK1 2/20 0.36
IDH1 O75874 1/20 0.33
ACP1 P24666 1/20 0.33
LMNA P02545 1/20 0.32
IGF1R P08069 1/20 0.32
HRH4 Q9H3N8 2/20 0.31
ESR2 Q92731 1/20 0.31
HCAR3 P49019 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
AR P10275 1/20 0.31
LATS1 O95835 1/20 0.31
LATS2 Q9NRM7 1/20 0.31

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
SCHEMBL29364276 0.83 PDE3B (0.34)
SCHEMBL25028577 0.83 PDE3B (0.34)
SCHEMBL13044666 0.82 ESR1 (0.44) IDO1ESR1KDM6BKDM4CTLR7
SCHEMBL13044656 0.81 IDO1 (0.42) IDO1ESR1KDM6BKDM4CTLR7
SCHEMBL29364310 0.75 CYP2C19 (0.42) ESR1LMNA
SCHEMBL11991397 0.75 IDO1 (0.40) IDO1ESR1KDM6BKDM4CTLR7
SCHEMBL25028578 0.75 CYP2C19 (0.42) ESR1LMNA
SCHEMBL16833996 0.73 ESR1 (0.47) ESR1IDH1HRH4ESR2HCAR3
SCHEMBL25028707 0.72 NCF1 (0.46) LMNAHCAR3
SCHEMBL24496623 0.72 CCNA2 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348439-A1 INDOLE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS NIDO BIOSCIENCES INC (US) 2023-11-02 US disclosed
US-20100286131-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-11 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 (2 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-20100286131-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2B IDO1 3663/4885ESR1 2828/4885KDM6B 1728/4885
US-20230348439-A1 INDOLE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS AR, FSHR, NR5A1 IDO1 174/4885ESR1 101/4885KDM6B 1414/4885

“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.