SCHEMBL13229366

SCHEMBL13229366

COC(=O)c1cc(Cl)cc(C(=O)N[C@H](C)c2ccc(F)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
LMNA P02545 2/20 0.55
NPC1 O15118 1/20 0.53
KMT2A Q03164 3/20 0.52
GPR139 Q6DWJ6 2/20 0.52
MEN1 O00255 2/20 0.51
HTT P42858 1/20 0.51
ROCK2 O75116 4/20 0.51
ROCK1 Q13464 4/20 0.51
PTGER4 P35408 3/20 0.50
PTGER2 P43116 2/20 0.50
KDM4E B2RXH2 2/20 0.49
TAS1R3 Q7RTX0 2/20 0.47
TAS1R1 Q7RTX1 2/20 0.47
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 1/20 0.45
PSENEN Q9NZ42 1/20 0.45

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
SCHEMBL7866401 0.88 LMNA (0.56) ALDH1A1LMNANPC1KMT2AMEN1
SCHEMBL3895800 0.88 LMNA (0.56) ALDH1A1LMNANPC1KMT2AMEN1
SCHEMBL3889316 0.87 ALDH1A1 (0.59) ALDH1A1LMNANPC1KMT2AMEN1
SCHEMBL7869047 0.87 ALDH1A1 (0.59) ALDH1A1LMNANPC1KMT2AMEN1
SCHEMBL13229362 0.87 NPC1 (0.59) ALDH1A1LMNANPC1KMT2AGPR139
SCHEMBL13229356 0.87 GPR139 (0.63) ALDH1A1LMNANPC1KMT2AGPR139
SCHEMBL13359830 0.82 ROCK2 (0.56) ALDH1A1LMNANPC1KMT2AMEN1
SCHEMBL13229280 0.82 ROCK2 (0.56) ALDH1A1LMNANPC1KMT2AMEN1
SCHEMBL13316830 0.80 BACE1 (0.66)
SCHEMBL8246476 0.80 BACE1 (0.66)

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-20100204160-A1 SUBSTITUTED 1,2-ETHYLENEDIAMINES, METHODS FOR PREPARING THEM AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-12 US disclosed
US-20100204160-A1 SUBSTITUTED 1,2-ETHYLENEDIAMINES, METHODS FOR PREPARING THEM AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-12 US disclosed
US-7713961-B2 Substituted 1,2-ethylenediamines, methods for preparing them and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-11 US disclosed
US-7713961-B2 Substituted 1,2-ethylenediamines, methods for preparing them and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-11 US disclosed
US-20090325940-A1 Substituted 1,2-ethylenediamines, Methods for Preparing Them and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-31 US disclosed
US-20090325940-A1 Substituted 1,2-ethylenediamines, Methods for Preparing Them and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-31 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-20100204160-A1 SUBSTITUTED 1,2-ETHYLENEDIAMINES, METHODS FOR PREPARING THEM AND USES THEREOF PSEN1, PSEN2, BACE1 ALDH1A1 511/4885LMNA 75/4885NPC1 1245/4885
US-20090325940-A1 Substituted 1,2-ethylenediamines, Methods for Preparing Them and Uses Thereof PSEN1, PSEN2, BACE1 ALDH1A1 511/4885LMNA 75/4885NPC1 1245/4885

“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.