SCHEMBL15034348

SCHEMBL15034348

COc1cc(Cl)cc(C(=O)N2CCN(C(=O)c3ncn(-c4ccccc4)n3)C(C)(C)C2)n1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.42
POLB P06746 3/20 0.42
CFTR P13569 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.40
TP53 P04637 4/20 0.39
GRM5 P41594 1/20 0.36
TACR3 P29371 1/20 0.35
KCNK3 O14649 1/20 0.35
KCNK9 Q9NPC2 1/20 0.35
NOTUM Q6P988 1/20 0.34
ALDH1A1 P00352 1/20 0.33
PKM P14618 1/20 0.33
MAPK1 P28482 1/20 0.33
MGLL Q99685 1/20 0.32
CCKAR P32238 1/20 0.32
SLC6A7 Q99884 1/20 0.32
NPC1 O15118 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL15034042 0.94 GRM5 (0.40) MAPTPOLBCFTRSMN1; SMN2GRM5
SCHEMBL15034349 0.90 MAPT (0.39) MAPTPOLBCFTRSMN1; SMN2TP53
SCHEMBL15034128 0.88 CFTR (0.42) MAPTPOLBCFTRSMN1; SMN2TP53
SCHEMBL15034045 0.88 KCNK3 (0.40) MAPTPOLBCFTRSMN1; SMN2TP53
SCHEMBL15034032 0.87 GRM5 (0.39) MAPTPOLBCFTRSMN1; SMN2GRM5
SCHEMBL15034041 0.86 GRM5 (0.39) MAPTPOLBCFTRSMN1; SMN2GRM5
SCHEMBL15034197 0.85 CFTR (0.40) MAPTPOLBCFTRSMN1; SMN2TP53
SCHEMBL15034170 0.84 MAPT (0.42) MAPTPOLBCFTRSMN1; SMN2TP53
SCHEMBL15034141 0.84 SMN1; SMN2 (0.46) MAPTPOLBCFTRSMN1; SMN2TP53
SCHEMBL15034060 0.83 GRM5 (0.39) MAPTPOLBCFTRSMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130158042-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 US disclosed
US-20130158042-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 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-20130158042-A1 NOVEL COMPOUNDS GRM5, GRIK5, GRM1 MAPT 270/4885POLB 4052/4885CFTR 3753/4885

“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.