SCHEMBL13229299

SCHEMBL13229299

CC(NC(=O)c1cc(Br)cc(C(=O)O)c1)c1ccc(F)cc1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.59
ALDH1A1 P00352 4/20 0.58
LMNA P02545 3/20 0.58
SMN1; SMN2 Q16637 1/20 0.56
KMT2A Q03164 2/20 0.54
NR1H4 Q96RI1 1/20 0.50
MEN1 O00255 1/20 0.50
HTT P42858 1/20 0.50
PTGER4 P35408 4/20 0.49
PTGER2 P43116 2/20 0.49
BACE1 P56817 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL3889792 0.88 NPC1 (0.61) NPC1ALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL7864711 0.88 NPC1 (0.61) NPC1ALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL27810867 0.87 ALDH1A1 (0.72) NPC1ALDH1A1LMNASMN1; SMN2NR1H4
SCHEMBL3889316 0.87 ALDH1A1 (0.59) NPC1ALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL7869047 0.87 ALDH1A1 (0.59) NPC1ALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL13907808 0.86 ALDH1A1 (0.58) NPC1ALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL13229362 0.86 NPC1 (0.59) NPC1ALDH1A1LMNAKMT2ANR1H4
SCHEMBL13042147 0.82 KMT2A (0.60) NPC1ALDH1A1LMNAKMT2ANR1H4
SCHEMBL13229283 0.81 NPC1 (0.59) NPC1ALDH1A1LMNAKMT2ANR1H4
SCHEMBL13325935 0.81 NPC1 (0.59) NPC1ALDH1A1LMNAKMT2ANR1H4

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 NPC1 1245/4885ALDH1A1 511/4885LMNA 75/4885
US-20090325940-A1 Substituted 1,2-ethylenediamines, Methods for Preparing Them and Uses Thereof PSEN1, PSEN2, BACE1 NPC1 1245/4885ALDH1A1 511/4885LMNA 75/4885

“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.