SCHEMBL555813

SCHEMBL555813

Cc1cc(Br)ccc1[C@@H]1C(=O)NC(=O)C[C@H]1c1cccnc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
GFER P55789 1/20 0.36
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
THRB P10828 1/20 0.35
TSHR P16473 1/20 0.35
CYP2A6 P11509 1/20 0.35
IDO1 P14902 2/20 0.34
RAB9A P51151 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
MAPK1 P28482 1/20 0.33

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
SCHEMBL534462 1.00 MAPT (0.40) MAPTSMN1; SMN2KDM4ECYP1A2CYP3A4
SCHEMBL555812 1.00 MAPT (0.40) MAPTSMN1; SMN2KDM4ECYP1A2CYP3A4
SCHEMBL533861 0.72 REN (0.45) MAPTSMN1; SMN2CYP1A2CYP2C19POLB
SCHEMBL533862 0.72 REN (0.45) MAPTSMN1; SMN2CYP1A2CYP2C19POLB
SCHEMBL9786763 0.70 MAPT (0.46) MAPTSMN1; SMN2KDM4ECYP1A2CYP3A4
SCHEMBL534491 0.67 SPR (0.37) MAPTKDM4ETSHRMAPK1
Brosuximide SCHEMBL2109189 0.62 ALDH1A1 (0.60) MAPTSMN1; SMN2KDM4EPOLBL3MBTL1
SCHEMBL15647651 0.61 MAPT (0.50) MAPTSMN1; SMN2KDM4EPOLBL3MBTL1
SCHEMBL534280 0.61 IDO1 (0.37) IDO1RAB9AKMT2AMEN1NPC1
SCHEMBL156842 0.61 CHRNB2 (0.56) MAPTSMN1; SMN2KDM4ECYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 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-20120035214-A1 RENIN INHIBITORS REN, ACE, AGTR1 MAPT 4208/4885SMN1; SMN2 4604/4885KDM4E 2653/4885

“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.