SCHEMBL13859136

SCHEMBL13859136

CC(=O)c1cc(C)c(Br)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.36
NPC1 O15118 5/20 0.36
RAB9A P51151 5/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KCNJ1 P48048 2/20 0.33
MTOR P42345 1/20 0.33
ABL1 P00519 1/20 0.32
KMT2A Q03164 1/20 0.32
HPGD P15428 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32

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
SCHEMBL29978511 1.00 ALDH1A1 (0.38) ALDH1A1KDM4EPOLBNPC1RAB9A
SCHEMBL1180456 0.84 KDM4E (0.52) ALDH1A1KDM4ESMN1; SMN2KMT2AGABRP
SCHEMBL20934640 0.84 NPC1 (0.39) ALDH1A1KDM4EPOLBNPC1RAB9A
SCHEMBL1643576 0.83 NOS3 (0.44) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL30024345 0.83 NOS3 (0.44) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL17841571 0.82 POLB (0.38) ALDH1A1KDM4EPOLBNPC1RAB9A
SCHEMBL3120938 0.82 TSHR (0.42) ALDH1A1KDM4EPOLBKMT2AGABRP
Potassium Ion SCHEMBL13731040 0.81 KDM4E (0.36) ALDH1A1KDM4EPOLBNPC1RAB9A
SCHEMBL25521952 0.80 UHRF1 (0.52) ALDH1A1KDM4EPOLBNPC1RAB9A
SCHEMBL24665060 0.79 HPGD (0.36) ALDH1A1KDM4EPOLBNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022236319-A1 NAPHTHYRIDONE COMPOUNDS FOR INHIBITION OF RAF KINASES AND/OR BCR-ABL TYROSINE KINASES ENLIVEN THERAPEUTICS, INC. (US) 2022-11-10 WO disclosed
EP-2709983-B1 INSECTICIDAL COMPOUNDS BASED ON ARYLTHIOACETAMIDE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2018-04-18 EP disclosed
EP-2709983-B1 INSECTICIDAL COMPOUNDS BASED ON ARYLTHIOACETAMIDE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2018-04-18 EP disclosed
US-20160304506-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2016-10-20 US disclosed
US-9399638-B2 Substituted pyridine compounds as CRAC modulators LUPIN LIMITED (IN) 2016-07-26 US disclosed
US-20150111900-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2015-04-23 US disclosed
US-8895587-B2 Insecticidal compounds based on arylthioacetamide derivatives SYNGENTA PARTICIPATIONS AG (CH) 2014-11-25 US disclosed
US-8895587-B2 Insecticidal compounds based on arylthioacetamide derivatives SYNGENTA PARTICIPATIONS AG (CH) 2014-11-25 US disclosed
US-8895587-B2 Insecticidal compounds based on arylthioacetamide derivatives SYNGENTA PARTICIPATIONS AG (CH) 2014-11-25 US disclosed
US-20140107161-A1 INSECTICIDAL COMPOUNDS BASED ON ARYLTHIOACETAMIDE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2014-04-17 US disclosed
US-20140107161-A1 INSECTICIDAL COMPOUNDS BASED ON ARYLTHIOACETAMIDE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2014-04-17 US disclosed
US-20140107161-A1 INSECTICIDAL COMPOUNDS BASED ON ARYLTHIOACETAMIDE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2014-04-17 US disclosed
EP-2709983-A1 INSECTICIDAL COMPOUNDS BASED ON ARYLTHIOACETAMIDE DERIVATIVES Syngenta Participations AG (CH) 2014-03-26 EP disclosed
WO-2012156400-A1 INSECTICIDAL COMPOUNDS BASED ON ARYLTHIOACETAMIDE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2012-11-22 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 (3 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-20150111900-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS CRAC MODULATORS ORAI1, RYR2, RYR1 ALDH1A1 2188/4885KDM4E 2333/4885POLB 4828/4885
US-20160304506-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS CRAC MODULATORS ORAI1, RYR2, RYR1 ALDH1A1 2188/4885KDM4E 2333/4885POLB 4828/4885
US-20140107161-A1 INSECTICIDAL COMPOUNDS BASED ON ARYLTHIOACETAMIDE DERIVATIVES NAT1, ACHE, CHRM1 ALDH1A1 91/4885KDM4E 1954/4885POLB 4590/4885

“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.