SCHEMBL13041579

SCHEMBL13041579

CB(O)N1CCCC(C(=O)N(Cc2ccccc2)c2ccccc2Br)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 5/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 4/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 2/20 0.40
GABRA1 P14867 3/20 0.40
GABRG2 P18507 3/20 0.40
GABRB3 P28472 3/20 0.40
GABRA3 P34903 3/20 0.40
GABRA2 P47869 3/20 0.40
GABRB2 P47870 3/20 0.40
ALDH1A1 P00352 2/20 0.39
CHRM2 P08172 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
GAA P10253 1/20 0.38
OPRM1 P35372 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL3731711 0.79 JAK2 (0.49) PKMHTTSMN1; SMN2MEN1KMT2A
SCHEMBL17113510 0.76 PKM (0.46) PKMHTTSMN1; SMN2KDM4EMEN1
SCHEMBL4669079 0.75 POLB (0.44) PKMHTTSMN1; SMN2KDM4EMEN1
SCHEMBL13041438 0.74 LMNA (0.42) PKMSMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL14272793 0.73 POLB (0.41) PKMHTTSMN1; SMN2KDM4EMEN1
SCHEMBL27730485 0.72 PTPRB (0.43) PKMSMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL3182707 0.71 PTPRB (0.60) PKMSMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL13041576 0.70 MAPT (0.54) SMN1; SMN2KDM4EMEN1KMT2ALMNA
SCHEMBL18138939 0.69 BCL2A1 (0.47) SMN1; SMN2MEN1KMT2ALMNAALDH1A1
SCHEMBL28133350 0.68 ALDH1A1 (0.55) HTTSMN1; SMN2MEN1KMT2ALMNA

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-20100280049-A1 ANTAGONISTS OF PGD2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-11-04 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-20100280049-A1 ANTAGONISTS OF PGD2 RECEPTORS PTGDR2, PTGDR, LTB4R2 PKM 3500/4885HTT 4751/4885SMN1; SMN2 4713/4885

“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.