SCHEMBL1164083

SCHEMBL1164083

Nc1ccc(CCCCCCCCCc2ccccc2)cc1

nearest known ligand 0.95

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.95
MAOA P21397 3/20 0.77
HTR2A P28223 2/20 0.64
SIGMAR1 Q99720 6/20 0.59
GFER P55789 1/20 0.59
CYP2A6 P11509 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TAAR1 Q96RJ0 1/20 0.54
LOXL2 Q9Y4K0 1/20 0.54
CYP19A1 P11511 1/20 0.54
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
MAPT P10636 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52

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
SCHEMBL1164263 1.00 MAOB (0.95) MAOBMAOAHTR2ASIGMAR1GFER
SCHEMBL10678830 1.00 MAOB (0.95) MAOBMAOAHTR2ASIGMAR1GFER
SCHEMBL3767602 0.98 MAOB (1.00) MAOBMAOAHTR2ASIGMAR1GFER
SCHEMBL9798973 0.93 MAOB (0.91) MAOBMAOAHTR2ASIGMAR1GFER
SCHEMBL4022346 0.90 MAOB (0.76) MAOBMAOAHTR2ASIGMAR1GFER
SCHEMBL4020067 0.90 MAOB (0.76) MAOBMAOAHTR2ASIGMAR1GFER
SCHEMBL4021564 0.90 MAOB (0.76) MAOBMAOAHTR2ASIGMAR1GFER
SCHEMBL20251158 0.90 MAOB (0.76) MAOBMAOAHTR2ASIGMAR1GFER
SCHEMBL4016462 0.90 MAOB (0.76) MAOBMAOAHTR2ASIGMAR1GFER
SCHEMBL4016540 0.90 MAOB (0.76) MAOBMAOAHTR2ASIGMAR1GFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9908849-B2 Imidamide sphingosine kinase inhibitors UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2018-03-06 US disclosed
US-20170166525-A1 IMIDAMIDE SPHINGOSINE KINASE INHIBITORS UNIVERSITY OF VIRGINIA 2017-06-15 US disclosed
US-9421177-B2 Imidamide sphingosine kinase inhibitors UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2016-08-23 US disclosed
US-20120214858-A1 IMIDAMIDE SPHINGOSINE KINASE INHIBITORS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-08-23 US disclosed
WO-2011020116-A1 IMIDAMIDE SPHINGOSINE KINASE INHIBITORS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2011-02-17 WO 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 (2 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-20120214858-A1 IMIDAMIDE SPHINGOSINE KINASE INHIBITORS SPHK2, SPHK1, S1PR2 MAOB 3458/4885MAOA 3771/4885HTR2A 2102/4885
US-20170166525-A1 IMIDAMIDE SPHINGOSINE KINASE INHIBITORS SPHK2, SPHK1, S1PR2 MAOB 3458/4885MAOA 3771/4885HTR2A 2102/4885

“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.