SCHEMBL9911990

SCHEMBL9911990

Cc1ccc(C(F)(F)F)n(C)c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
GAA P10253 2/20 0.49
NPC1 O15118 3/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.40
ALDH1A1 P00352 1/20 0.39
IDH1 O75874 1/20 0.35
BRPF1 P55201 1/20 0.33
PGR P06401 2/20 0.33
HSD11B1 P28845 1/20 0.32
TDP2 O95551 1/20 0.31
ITGB1 P05556 1/20 0.31
ITGA4 P13612 1/20 0.31
ITGB7 P26010 1/20 0.31
AR P10275 1/20 0.31
COMT P21964 1/20 0.31
ELANE P08246 1/20 0.30
NOTUM Q6P988 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL17589207 0.81 BRPF1 (0.34) RAB9ASMN1; SMN2GAAALDH1A1BRPF1
SCHEMBL17494888 0.78 RAB9A (0.44) RAB9ASMN1; SMN2GAANPC1LMNA
SCHEMBL21479586 0.77 RAB9A (0.40) RAB9ASMN1; SMN2GAANPC1LMNA
SCHEMBL12147772 0.75 RAB9A (0.36) RAB9ASMN1; SMN2GAANPC1LMNA
SCHEMBL17494864 0.75 RAB9A (0.56) RAB9ASMN1; SMN2GAANPC1LMNA
SCHEMBL5030822 0.75 RAB9A (0.42) RAB9ASMN1; SMN2GAANPC1LMNA
SCHEMBL3051505 0.73 RAB9A (0.48) RAB9ASMN1; SMN2GAANPC1LMNA
SCHEMBL13680580 0.73 RAB9A (0.39) RAB9ASMN1; SMN2GAANPC1LMNA
SCHEMBL3056330 0.72 LMNA (0.54) RAB9ASMN1; SMN2GAANPC1LMNA
SCHEMBL3052229 0.72 RAB9A (0.47) RAB9ASMN1; SMN2GAANPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023220247-A1 LRRK2 INHIBITORS INTERLINE THERAPEUTICS, INC. (US) 2023-11-16 WO disclosed
US-8648075-B2 Substituted pyrido[2,3-b]pyrazines and an agrochemical composition thereof KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2014-02-11 US disclosed
US-8648075-B2 Substituted pyrido[2,3-b]pyrazines and an agrochemical composition thereof KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2014-02-11 US disclosed
EP-2394995-B1 RING-FUSED 2-PYRIDONE DERIVATIVES AND HERBICIDES KUMIAI CHEMICAL INDUSTRY CO (JP) 2014-01-15 EP disclosed
US-20130137577-A1 OXOPYRAZINE DERIVATIVE AND HERBICIDE IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2013-05-30 US disclosed
US-20130137577-A1 OXOPYRAZINE DERIVATIVE AND HERBICIDE IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2013-05-30 US disclosed
US-8389523-B2 Substituted quinoxaline and an agrochemical composition thereof KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2013-03-05 US disclosed
US-8389523-B2 Substituted quinoxaline and an agrochemical composition thereof KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2013-03-05 US disclosed
US-8334236-B2 Ring-fused 2-pyridone derivatives and herbicides KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2012-12-18 US disclosed
US-8334236-B2 Ring-fused 2-pyridone derivatives and herbicides KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2012-12-18 US disclosed
EP-2174934-B1 OXOPYRAZINE DERIVATIVE AND HERBICIDE KUMIAI CHEMICAL INDUSTRY CO (JP) 2012-06-06 EP disclosed
EP-2394995-A1 RING-FUSED 2-PYRIDONE DERIVATIVES AND HERBICIDES Kumiai Chemical Industry CO., LTD. (JP) 2011-12-14 EP disclosed
US-20110287937-A1 RING-FUSED 2-PYRIDONE DERIVATIVES AND HERBICIDES IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2011-11-24 US disclosed
US-20110287937-A1 RING-FUSED 2-PYRIDONE DERIVATIVES AND HERBICIDES IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2011-11-24 US disclosed
WO-2010089993-A1 RING-FUSED 2-PYRIDONE DERIVATIVES AND HERBICIDES クミアイ化学工業株式会社 (JP) 2010-08-12 WO disclosed
US-20100197674-A1 OXOPYRAZINE DERIVATIVE AND HERBICIDE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2010-08-05 US disclosed
US-20100197674-A1 OXOPYRAZINE DERIVATIVE AND HERBICIDE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2010-08-05 US disclosed
EP-2174934-A1 OXOPYRAZINE DERIVATIVE AND HERBICIDE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2010-04-14 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 (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-20110287937-A1 RING-FUSED 2-PYRIDONE DERIVATIVES AND HERBICIDES CBR3, CBR1, CHRM1 RAB9A 3900/4885SMN1; SMN2 2712/4885GAA 4099/4885
US-20130137577-A1 OXOPYRAZINE DERIVATIVE AND HERBICIDE CBR3, CBR1, DDT RAB9A 1771/4885SMN1; SMN2 3580/4885GAA 3541/4885
US-20100197674-A1 OXOPYRAZINE DERIVATIVE AND HERBICIDE CBR3, CBR1, DDT RAB9A 1771/4885SMN1; SMN2 3580/4885GAA 3541/4885

“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.