SCHEMBL10169699

SCHEMBL10169699

CCCN1CC(Oc2ccc(C(=O)c3c(-c4ccccc4Cl)noc3-c3cccc4[nH]ncc34)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
MAPT P10636 6/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GPBAR1 Q8TDU6 5/20 0.36
PIK3CA P42336 2/20 0.36
PIK3R1 P27986 1/20 0.36
MTOR P42345 1/20 0.36
ALDH1A1 P00352 3/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 3/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
USP2 O75604 1/20 0.34

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
Trifluoroacetic Acid SCHEMBL9959376 0.95 TP53 (0.39) TP53MAPTMEN1KMT2AGPBAR1
SCHEMBL10169697 0.86 TP53 (0.45) TP53MAPTMEN1KMT2AGPBAR1
SCHEMBL10169692 0.84 TP53 (0.42) TP53MAPTMEN1KMT2AGPBAR1
SCHEMBL9956546 0.83 ESR1 (0.43) TP53MAPTMEN1KMT2AGPBAR1
SCHEMBL10169694 0.83 TP53 (0.43) TP53MAPTMEN1KMT2AGPBAR1
SCHEMBL10169702 0.83 TP53 (0.41) TP53MAPTMEN1KMT2AGPBAR1
Hydrochloric Acid SCHEMBL9956229 0.83 ESR1 (0.42) TP53MAPTMEN1KMT2AGPBAR1
Hydrochloric Acid SCHEMBL9956167 0.82 TP53 (0.41) TP53MAPTMEN1KMT2AGPBAR1
SCHEMBL9957139 0.82 ESR1 (0.43) TP53MAPTMEN1KMT2AGPBAR1
Trifluoroacetic Acid SCHEMBL9959565 0.79 RORC (0.43) TP53MAPTMEN1KMT2AGPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9540361-B2 N-substituted azetidine derivatives MERCK SHARP & DOHME B.V. (NL) 2017-01-10 US disclosed
US-9540361-B2 N-substituted azetidine derivatives MERCK SHARP & DOHME B.V. (NL) 2017-01-10 US disclosed
EP-2655367-B1 N-SUBSTITUTED AZETIDINE DERIVATIVES MERCK SHARP & DOHME (NL) 2016-07-06 EP disclosed
US-20160130262-A1 N-SUBSTITUTED AZETIDINE DERIVATIVES MERCK SHARP & DOHME B.V. (NL) 2016-05-12 US disclosed
US-20160130262-A1 N-SUBSTITUTED AZETIDINE DERIVATIVES MERCK SHARP & DOHME B.V. (NL) 2016-05-12 US disclosed
WO-2012084711-A1 N-SUBSTITUTED AZETIDINE DERIVATIVES MSD OSS B.V. (NL) 2012-06-28 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-20160130262-A1 N-SUBSTITUTED AZETIDINE DERIVATIVES ESR2, ESR1, GPER1 TP53 284/4885MAPT 3866/4885MEN1 1013/4885

“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.