SCHEMBL16598604

SCHEMBL16598604

O=C(C=Cc1ccccc1)N1CCN(CCOc2ccc(Cl)cc2Cl)CC1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.60
KMT2A Q03164 6/20 0.60
LMNA P02545 1/20 0.60
KCNA5 P22460 2/20 0.58
GPR183 P32249 4/20 0.56
KDM4E B2RXH2 2/20 0.50
POLB P06746 1/20 0.50
TACR3 P29371 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
GAA P10253 1/20 0.48

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
SCHEMBL16598603 1.00 MEN1 (0.60) MEN1KMT2ALMNAKCNA5GPR183
SCHEMBL19412459 0.80 MEN1 (0.57) MEN1KMT2ALMNAGPR183POLB
SCHEMBL5026257 0.78 KCNA5 (0.59) MEN1KMT2ALMNAKCNA5KDM4E
SCHEMBL16598994 0.77 GPR183 (0.74) MEN1KMT2ALMNAGPR183KDM4E
SCHEMBL16598991 0.77 GPR183 (0.74) MEN1KMT2ALMNAGPR183KDM4E
SCHEMBL5480294 0.76 HPGD (0.61) MEN1KMT2ALMNAKCNA5KDM4E
SCHEMBL11026534 0.76 POLB (0.67) MEN1KMT2ALMNAGPR183KDM4E
SCHEMBL11026533 0.76 POLB (0.67) MEN1KMT2ALMNAGPR183KDM4E
SCHEMBL17938699 0.75 GPR183 (0.93) MEN1KMT2AGPR183POLBTACR3
SCHEMBL17938698 0.75 GPR183 (0.93) MEN1KMT2AGPR183POLBTACR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9776979-B2 EBI2 modulators SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2017-10-03 US disclosed
US-20160214951-A1 EBI2 MODULATORS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2016-07-28 US disclosed
WO-2015048570-A2 EBI2 MODULATORS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2015-04-02 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-20160214951-A1 EBI2 MODULATORS BIRC2, HAVCR2, MAVS MEN1 2201/4885KMT2A 1057/4885LMNA 2951/4885

“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.