SCHEMBL3784918

SCHEMBL3784918

O=C(O)NC(Cc1c[nH]c2ccccc12)c1n[nH]c(=O)o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 4/20 0.47
POLB P06746 3/20 0.47
KDM4E B2RXH2 2/20 0.47
APAF1 O14727 1/20 0.47
RECQL P46063 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
MPO P05164 1/20 0.47
TSHR P16473 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
KMT2A Q03164 1/20 0.47
HIF1A Q16665 1/20 0.47
P4HB P07237 4/20 0.47
GAA P10253 2/20 0.47
MTNR1B P49286 1/20 0.46
ITGB2 P05107 1/20 0.46
ICAM1 P05362 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
SCHEMBL6723448 0.81 POLB (0.53) SMN1; SMN2MAPTPOLBKDM4EAPAF1
SCHEMBL20510013 0.81 P4HB (0.57) SMN1; SMN2MAPTPOLBKDM4EAPAF1
SCHEMBL20510012 0.81 P4HB (0.57) SMN1; SMN2MAPTPOLBKDM4EAPAF1
SCHEMBL3783713 0.79 KDM4E (0.57) MAPTKDM4EMEN1LMNAMPO
SCHEMBL3784345 0.79 KDM4E (0.57) MAPTKDM4EMEN1LMNAMPO
SCHEMBL3783712 0.79 KDM4E (0.57) MAPTKDM4EMEN1LMNAMPO
SCHEMBL7417802 0.79 SMN1; SMN2 (0.51) SMN1; SMN2MAPTPOLBKDM4EAPAF1
SCHEMBL7417808 0.79 SMN1; SMN2 (0.51) SMN1; SMN2MAPTPOLBKDM4EAPAF1
SCHEMBL23100718 0.79 SMN1; SMN2 (0.59) SMN1; SMN2MAPTPOLBKDM4EAPAF1
SCHEMBL23100716 0.79 SMN1; SMN2 (0.59) SMN1; SMN2MAPTPOLBKDM4EAPAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2260022-B1 SUBSTITUTED CYCLOHEXYLDIAMINES GRUENENTHAL GMBH (DE) 2017-01-04 EP disclosed
US-8357705-B2 Substituted cyclohexyldiamines GRUENENTHAL GMBH (DE) 2013-01-22 US disclosed
EP-2260022-A1 SUBSTITUTED CYCLOHEXYLDIAMINES Grünenthal GmbH (DE) 2010-12-15 EP disclosed
WO-2009118174-A1 SUBSTITUTED CYCLOHEXYLDIAMINES Grünenthal GmbH (DE) 2009-10-01 WO disclosed
US-20090247591-A1 SUBSTITUTED CYCLOHEXYLDIAMINES GRUNENTHAL GMBH (DE) 2009-10-01 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 (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-20090247591-A1 SUBSTITUTED CYCLOHEXYLDIAMINES OPRL1, OPRD1, OPRK1 SMN1; SMN2 1227/4885MAPT 1952/4885POLB 3649/4885

“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.