SCHEMBL969126

SCHEMBL969126

CN(c1ccc(Br)cc1)c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.47
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
CHRNA4 P43681 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.43
NFKB1 P19838 1/20 0.43
CYP2C19 P33261 1/20 0.43
HIF1A Q16665 1/20 0.43
ADRA2A P08913 1/20 0.43
DRD2 P14416 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
HTR2C P28335 1/20 0.43
SLC6A4 P31645 1/20 0.43
ADRA1A P35348 1/20 0.43
HRH1 P35367 1/20 0.43
OPRM1 P35372 1/20 0.43
DRD3 P35462 1/20 0.43

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
SCHEMBL3409401 0.86 KCNA5 (0.49) GRM5CYP3A4CHRNA4CYP1A2KCNA5
SCHEMBL5075470 0.84 KCNA5 (0.50) GRM5CYP3A4CHRNA4CYP1A2SLC6A4
Hydrochloric Acid SCHEMBL4024971 0.84 KCNA5 (0.47) GRM5CYP3A4CHRNA4CYP1A2KCNA5
SCHEMBL12947815 0.83 RAB9A (0.45) GRM5CYP3A4CHRNA4KCNA5CHRNB2
SCHEMBL6730575 0.81 NPC1 (0.54) GRM5CHRNA4NFKB1HPGDSMN1; SMN2
SCHEMBL6710542 0.81 KCNA5 (0.41) GRM5CYP3A4CHRNA4CYP1A2LMNA
SCHEMBL13367396 0.79 TUBB4A (0.47) CYP3A4CYP1A2CYP2C19HPGDSMN1; SMN2
SCHEMBL12919963 0.79 KCNA5 (0.46) GRM5CHRNA4SMN1; SMN2LMNAKCNA5
SCHEMBL5998653 0.78 CHRM5 (0.52) ALOX15HPGDSMN1; SMN2LMNAKDM4E
SCHEMBL15237258 0.78 HDAC6 (0.45) GRM5CYP3A4CYP2D6CHRNA4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7871982-B2 Lincomycin derivatives and antimicrobial agents comprising the same as active ingredient MEIJI SEIKA KAISHA, LTD. (JP) 2011-01-18 US disclosed
US-20090156512-A1 potent activity against resistant pneumococci MEIJI SEIKA KAISHA, LTD. (JP) 2009-06-18 US disclosed
EP-1970377-A1 LINCOMYCIN DERIVATIVE AND ANTIBACTERIAL AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2008-09-17 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-20090156512-A1 potent activity against resistant pneumococci H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NAT1, NPM1 GRM5 4463/4885CYP3A4 2690/4885CYP2D6 292/4885

“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.