SCHEMBL1826985

SCHEMBL1826985

Cc1nc(-n2cncn2)ccc1C(=O)/C(=C/N(C)C)C(=O)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
MAPT P10636 4/20 0.34
HTT P42858 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HSP90AA1 P07900 1/20 0.34
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
PKM P14618 2/20 0.34
MITF O75030 1/20 0.34
ATM Q13315 2/20 0.33
POLB P06746 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL1825598 1.00 LMNA (0.36) LMNAMAPTHTTSMN1; SMN2HSP90AA1
SCHEMBL1825595 1.00 LMNA (0.36) LMNAMAPTHTTSMN1; SMN2HSP90AA1
SCHEMBL1822534 0.84 LMNA (0.35) LMNAMAPTHTTSMN1; SMN2HSP90AA1
SCHEMBL1822226 0.84 LMNA (0.35) LMNAMAPTHTTSMN1; SMN2HSP90AA1
SCHEMBL1822223 0.84 LMNA (0.35) LMNAMAPTHTTSMN1; SMN2HSP90AA1
SCHEMBL1822277 0.82 MAPT (0.41) MAPTHTTSMN1; SMN2HSP90AA1RAB9A
SCHEMBL2404735 0.82 MAPT (0.41) MAPTHTTSMN1; SMN2HSP90AA1RAB9A
SCHEMBL1822280 0.82 MAPT (0.41) MAPTHTTSMN1; SMN2HSP90AA1RAB9A
SCHEMBL1823085 0.74 GABRP (0.46) MAPTHTTSMN1; SMN2HSP90AA1RAB9A
SCHEMBL1823627 0.73 KDM4E (0.38) LMNAMAPTHTTSMN1; SMN2HSP90AA1

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-8927458-B2 Herbicide triazolylpyridine ketones BAYER CROPSCIENCE AG (DE) 2015-01-06 US disclosed
US-8658798-B2 Herbicide triazolylpyridine ketones BAYER CROPSCIENCE AG (DE) 2014-02-25 US disclosed
US-20130296168-A1 HERBICIDE TRIAZOLYLPYRIDINE KETONES BAYER CROPSCIENCE AG (DE) 2013-11-07 US disclosed
US-20110237800-A1 HERBICIDE TRIAZOLYLPYRIDINE KETONES BAYER CROPSCIENCE AG (DE) 2011-09-29 US disclosed
EP-2185536-B1 HERBICIDE TRIAZOLYLPYRIDINE KETONES BAYER CROPSCIENCE AG (DE) 2011-05-04 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 (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-20130296168-A1 HERBICIDE TRIAZOLYLPYRIDINE KETONES DDT, PDK4, BCKDK LMNA 4818/4885MAPT 2616/4885HTT 719/4885
US-20110237800-A1 HERBICIDE TRIAZOLYLPYRIDINE KETONES DDT, PDK4, BCKDK LMNA 4780/4885MAPT 2532/4885HTT 621/4885

“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.