SCHEMBL14920934

SCHEMBL14920934

CC(=O)Cc1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.58
CYP3A4 P08684 2/20 0.58
CYP2D6 P10635 2/20 0.58
CYP2C19 P33261 2/20 0.58
ALDH1A1 P00352 2/20 0.58
KMT2A Q03164 5/20 0.57
MEN1 O00255 4/20 0.57
NPSR1 Q6W5P4 2/20 0.57
GLA P06280 1/20 0.55
AGBL2 Q5U5Z8 1/20 0.55
CYP2C9 P11712 1/20 0.54
MAPT P10636 2/20 0.52
POLB P06746 1/20 0.52
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HTT P42858 1/20 0.51
RAB9A P51151 1/20 0.51
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL27716277 0.86 AGBL2 (0.69) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL1855724 0.85 MAPT (0.60) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL784677 0.85 CYP1A2 (0.56) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL3422410 0.84 HTT (0.57) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL20972172 0.84 LMNA (0.61) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
Acetic Acid SCHEMBL5046683 0.82 KMT2A (0.55) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL4654059 0.82 TDP1 (0.58) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL4376390 0.81 L3MBTL1 (0.64) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
Acetic Acid SCHEMBL28417972 0.81 KMT2A (0.54) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
Acetic Acid SCHEMBL4444086 0.80 KMT2A (0.53) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9301526-B2 Compounds with nematicidal activity BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-04-05 US disclosed
US-9301526-B2 Compounds with nematicidal activity BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-04-05 US disclosed
US-20140256728-A1 COMPOUNDS WITH NEMATICIDAL ACTIVITY BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-09-11 US disclosed
US-20140256728-A1 COMPOUNDS WITH NEMATICIDAL ACTIVITY BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-09-11 US disclosed
EP-2773215-A2 COMPOUNDS WITH NEMATICIDAL ACTIVITY Bayer Intellectual Property GmbH (DE) 2014-09-10 EP disclosed
EP-2773203-A1 COMPOUNDS WITH NEMATICIDAL ACTIVITY Bayer Intellectual Property GmbH (DE) 2014-09-10 EP disclosed
US-20140249149-A1 Compounds with Nematicidal Activity BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-09-04 US disclosed
US-20140249149-A1 Compounds with Nematicidal Activity BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-09-04 US disclosed
EP-2606728-A1 Compounds with nematicidal activity Bayer CropScience AG (DE) 2013-06-26 EP disclosed
EP-2606728-A1 Compounds with nematicidal activity Bayer CropScience AG (DE) 2013-06-26 EP disclosed
EP-2606727-A1 Compounds with nematicidal activity Bayer CropScience AG (DE) 2013-06-26 EP disclosed
EP-2606727-A1 Compounds with nematicidal activity Bayer CropScience AG (DE) 2013-06-26 EP disclosed
WO-2013064461-A2 COMPOUNDS WITH NEMATICIDAL ACTIVITY BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-10 WO disclosed
WO-2013064461-A2 COMPOUNDS WITH NEMATICIDAL ACTIVITY BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-10 WO disclosed
WO-2013064460-A1 COMPOUNDS WITH NEMATICIDAL ACTIVITY BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-10 WO disclosed
WO-2013064460-A1 COMPOUNDS WITH NEMATICIDAL ACTIVITY BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-10 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 (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-20140256728-A1 COMPOUNDS WITH NEMATICIDAL ACTIVITY ACHE, TUBA3C, NAAA CYP1A2 714/4885CYP3A4 852/4885CYP2D6 1494/4885
US-20140249149-A1 Compounds with Nematicidal Activity ACHE, NAAA, TUBA3C CYP1A2 947/4885CYP3A4 874/4885CYP2D6 1647/4885

“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.