SCHEMBL1822657

SCHEMBL1822657

COCc1nc(-n2cncn2)ccc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 1/20 0.40
MAPT P10636 3/20 0.39
HSP90AA1 P07900 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
POLB P06746 3/20 0.36
GABRP O00591 2/20 0.35
GABRD O14764 2/20 0.35
GABRA1 P14867 2/20 0.35
GABRB1 P18505 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35
GABRA2 P47869 2/20 0.35

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
Hydrochloric Acid SCHEMBL1825087 0.99 STING1 (0.39) STING1MAPTHSP90AA1HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL2400662 0.90 STING1 (0.38) STING1MAPTHSP90AA1HTTSMN1; SMN2
SCHEMBL1825085 0.88 MAPT (0.38) STING1MAPTHSP90AA1HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL1822891 0.83 ALDH1A1 (0.39) STING1MAPTHSP90AA1HTTSMN1; SMN2
SCHEMBL1827028 0.83 STING1 (0.39) STING1MAPTHSP90AA1HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL2400986 0.82 STING1 (0.39) STING1MAPTHSP90AA1HTTSMN1; SMN2
SCHEMBL1823362 0.81 MAPT (0.33) MAPTHSP90AA1HTTSMN1; SMN2KDM4E
SCHEMBL1826191 0.81 CD38 (0.36) STING1MAPTHSP90AA1HTTSMN1; SMN2
SCHEMBL1824077 0.81 MAPT (0.35) MAPTHSP90AA1HTTSMN1; SMN2KDM4E
SCHEMBL1824015 0.80 CD38 (0.35) STING1MAPTHSP90AA1HTTSMN1; SMN2

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 STING1 4334/4885MAPT 2616/4885HSP90AA1 480/4885
US-20110237800-A1 HERBICIDE TRIAZOLYLPYRIDINE KETONES DDT, PDK4, BCKDK STING1 4479/4885MAPT 2532/4885HSP90AA1 617/4885

“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.