SCHEMBL4098438

SCHEMBL4098438

C[C@@](O)(COc1cc(NC(=O)c2cccnc2Cl)ccc1C(F)(F)C(F)(F)F)N1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
ALDH1A1 P00352 7/20 0.47
RAB9A P51151 2/20 0.47
GAA P10253 3/20 0.46
POLB P06746 1/20 0.46
KDM4E B2RXH2 5/20 0.43
HTT P42858 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL449510 1.00 MAPT (0.49) MAPTSMN1; SMN2ALDH1A1RAB9AGAA
SCHEMBL448263 0.83 MAPT (0.53) MAPTSMN1; SMN2ALDH1A1RAB9AGAA
SCHEMBL449466 0.82 MAPT (0.50) MAPTSMN1; SMN2ALDH1A1RAB9AGAA
SCHEMBL449465 0.82 MAPT (0.50) MAPTSMN1; SMN2ALDH1A1RAB9AGAA
SCHEMBL448598 0.81 MAPT (0.49) MAPTSMN1; SMN2ALDH1A1RAB9AGAA
SCHEMBL4097418 0.81 MAPT (0.49) MAPTSMN1; SMN2ALDH1A1RAB9AGAA
SCHEMBL447266 0.81 MAPT (0.47) MAPTSMN1; SMN2ALDH1A1RAB9AGAA
SCHEMBL447267 0.81 MAPT (0.47) MAPTSMN1; SMN2ALDH1A1RAB9AGAA
SCHEMBL447276 0.80 ALDH1A1 (0.49) MAPTSMN1; SMN2ALDH1A1RAB9AGAA
SCHEMBL3154448 0.80 MEN1 (0.46) MAPTSMN1; SMN2ALDH1A1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642624-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2014-02-04 US disclosed
US-8247430-B2 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2012-08-21 US disclosed
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2009-06-04 US disclosed
US-6995162-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2006-02-07 US disclosed
EP-1358161-A2 N-PYRIDYL CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Amgen Inc. (US) 2003-11-05 EP disclosed
WO-2002055501-A2 N-PYRIDYL CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AMGEN INC (US) 2002-07-18 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 (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-20090143355-A1 Substituted aryl-amine derivatives and methods of use FLT1, FLT4, NAT1 MAPT 3731/4885SMN1; SMN2 2577/4885ALDH1A1 104/4885

“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.