SCHEMBL13229404

SCHEMBL13229404

COC(=O)c1cc(C(=O)O)cc(N2CCCNC2=O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
HPGD P15428 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 6/20 0.40
KDM6B O15054 1/20 0.40
KDM5C P41229 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
KDM2A Q9Y2K7 1/20 0.40
KDM3A Q9Y4C1 1/20 0.40
THRB P10828 1/20 0.39
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
TSHR P16473 2/20 0.37
GAA P10253 1/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 2/20 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
SCHEMBL13229402 0.95 THRB (0.42) ALDH1A1CYP3A4CYP2C9KDM4ETHRB
SCHEMBL5221306 0.83 ALDH1A1 (0.58) ALDH1A1CYP3A4CYP2C9HPGDCYP1A2
SCHEMBL4744986 0.81 ALDH1A1 (0.48) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL475775 0.79 MEN1 (0.56) ALDH1A1CYP3A4CYP2C9HPGDCYP1A2
SCHEMBL5219444 0.76 MEN1 (0.56) ALDH1A1CYP3A4CYP2C9HPGDCYP1A2
SCHEMBL730950 0.76 ALDH1A1 (0.53) ALDH1A1CYP3A4CYP2C9HPGDCYP1A2
SCHEMBL13053682 0.74 KDM4E (0.38) ALDH1A1CYP3A4CYP2C9HPGDKDM4E
SCHEMBL4692282 0.74 ALDH1A1 (0.63) ALDH1A1CYP3A4CYP2C9HPGDCYP1A2
SCHEMBL132460 0.73 GAA (0.55) ALDH1A1HPGDCYP1A2CYP2D6CYP2C19
SCHEMBL13229812 0.73 F10 (0.43) ALDH1A1CYP3A4CYP2C9HPGDCYP1A2

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 511/4885CYP3A4 938/4885CYP2C9 1354/4885
US-20090325940-A1 Substituted 1,2-ethylenediamines, Methods for Preparing Them and Uses Thereof PSEN1, PSEN2, BACE1 ALDH1A1 511/4885CYP3A4 938/4885CYP2C9 1354/4885

“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.