SCHEMBL9903632

SCHEMBL9903632

O=C(c1cnc2cc(Br)cnc2n1)N1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.55
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
GAA P10253 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
GRM5 P41594 1/20 0.43
DPP4 P27487 1/20 0.41
HPGD P15428 10/20 0.40
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GNE Q9Y223 1/20 0.38
TSHR P16473 1/20 0.38
ESR2 Q92731 1/20 0.38

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
SCHEMBL9903518 0.77 PTK2 (0.56) PTK2NPC1RAB9AGRM5DPP4
SCHEMBL9903399 0.76 ALDH1A1 (0.47) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL9902702 0.75 PTK2 (0.48) PTK2MAPTNPC1RAB9AGRM5
SCHEMBL9903802 0.73 GRM5 (0.49) PTK2GRM5DPP4
SCHEMBL9903792 0.72 PTK2 (0.50) PTK2NPC1RAB9AGRM5DPP4
SCHEMBL1872354 0.72 ALDH1A1 (0.59) PTK2ALDH1A1MAPTGAATDP1
SCHEMBL1427022 0.70 ALDH1A1 (0.57) PTK2ALDH1A1MAPTGAATDP1
SCHEMBL16913907 0.69 HPGD (0.54) ALDH1A1MAPTGAATDP1NPC1
SCHEMBL12850740 0.68 PTK2 (0.52) PTK2MAPTNPC1RAB9AHPGD
SCHEMBL21865284 0.68 PTK2 (0.52) PTK2MAPTNPC1RAB9AHPGD

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-20120178742-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2012-07-12 US disclosed
EP-2462142-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS Merz Pharma GmbH & Co. KGaA (DE) 2012-06-13 EP 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-20120178742-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS GRM5, GRIK5, GRM1 PTK2 3720/4885ALDH1A1 3284/4885MAPT 1014/4885

“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.