SCHEMBL16517129

SCHEMBL16517129

O=C(O)C(=O)NCc1ccccn1

nearest known ligand 0.83

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.83
NPC1 O15118 5/20 0.71
RAB9A P51151 5/20 0.71
GAA P10253 3/20 0.71
ALDH1A1 P00352 2/20 0.65
POLB P06746 3/20 0.64
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
KDM4E B2RXH2 1/20 0.62
LMNA P02545 3/20 0.60
HPGD P15428 1/20 0.60
ALOX15 P16050 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
HTT P42858 1/20 0.57

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
SCHEMBL30522589 0.91 SMN1; SMN2 (1.00) SMN1; SMN2NPC1RAB9AGAAALDH1A1
SCHEMBL18415475 0.91 SMN1; SMN2 (1.00) SMN1; SMN2NPC1RAB9AGAAALDH1A1
SCHEMBL30602600 0.85 SMN1; SMN2 (0.76) SMN1; SMN2NPC1RAB9AGAAALDH1A1
SCHEMBL243740 0.85 SMN1; SMN2 (0.76) SMN1; SMN2NPC1RAB9AGAAALDH1A1
SCHEMBL31558918 0.84 SMN1; SMN2 (0.80) SMN1; SMN2NPC1RAB9AGAAALDH1A1
SCHEMBL15247364 0.84 SMN1; SMN2 (0.80) SMN1; SMN2NPC1RAB9AGAAALDH1A1
Hydrochloric Acid SCHEMBL7607595 0.84 SMN1; SMN2 (0.73) SMN1; SMN2NPC1RAB9AGAAALDH1A1
SCHEMBL21065524 0.83 SMN1; SMN2 (0.79) SMN1; SMN2NPC1RAB9AGAAALDH1A1
SCHEMBL29460273 0.83 SMN1; SMN2 (0.79) SMN1; SMN2NPC1RAB9AGAAALDH1A1
SCHEMBL11135843 0.83 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9AGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180094086-A1 NEAR INFRARED ABSORBING COMPOSITION, NEAR INFRARED CUT FILTER, METHOD OF MANUFACTURING NEAR INFRARED CUT FILTER, DEVICE, METHOD OF MANUFACTURING COPPER-CONTAINING POLYMER, AND COPPER-CONTAINING POLYMER FUJIFILM CORPORATION (JP) 2018-04-05 US disclosed
US-20170145034-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2017-05-25 US disclosed
US-9605005-B2 Alkynyl alcohols and methods of use GENENTECH, INC. (US) 2017-03-28 US disclosed
US-20160304730-A1 NEAR INFRARED RADIATION-ABSORBING COMPOSITION, NEAR INFRARED RADIATION CUT-OFF FILTER AND PRODUCTION METHOD THEREFOR, AND CAMERA MODULE AND PRODUCTION METHOD THEREFOR FUJIFILM CORPORATION (JP) 2016-10-20 US disclosed
US-20160200739-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (CA) 2016-07-14 US disclosed
EP-3036230-A1 ALKYNYL ALCOHOLS AND METHODS OF USE F. Hoffmann-La Roche AG (CH) 2016-06-29 EP disclosed
US-20160096850-A9 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2016-04-07 US disclosed
US-20150065482-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2015-03-05 US disclosed
WO-2015025025-A1 ALKYNYL ALCOHOLS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2015-02-26 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 (4 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-20150065482-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, RELA SMN1; SMN2 2806/4885NPC1 814/4885RAB9A 1461/4885
US-20160096850-A9 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, RELA SMN1; SMN2 2806/4885NPC1 814/4885RAB9A 1461/4885
US-20160200739-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, RELA SMN1; SMN2 2806/4885NPC1 814/4885RAB9A 1461/4885
US-20170145034-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, RELA SMN1; SMN2 2806/4885NPC1 814/4885RAB9A 1461/4885

“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.