SCHEMBL10116016

SCHEMBL10116016

CCCc1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
KMT2A Q03164 2/20 0.54
GABRB3 P28472 6/20 0.50
GABRA2 P47869 3/20 0.50
GABRB2 P47870 3/20 0.50
MAPT P10636 1/20 0.50
MEN1 O00255 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ALDH1A1 P00352 3/20 0.46
LMNA P02545 1/20 0.46
GLA P06280 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL3926414 0.90 TDP1 (0.52) TDP1L3MBTL1KMT2AGABRA2GABRB2
Ammonia Solution, Strong SCHEMBL27669870 0.89 TDP1 (0.51) TDP1L3MBTL1KMT2AGABRA2GABRB2
SCHEMBL21655284 0.88 TDP1 (0.43) TDP1L3MBTL1KMT2AGABRB3GABRA2
SCHEMBL30861677 0.86 TDP1 (0.58) TDP1L3MBTL1KMT2AGABRB3GABRA2
SCHEMBL9290492 0.86 TDP1 (0.58) TDP1L3MBTL1KMT2AGABRB3GABRA2
SCHEMBL30861680 0.86 TDP1 (0.58) TDP1L3MBTL1KMT2AGABRB3GABRA2
Ammonia Solution, Strong SCHEMBL20298816 0.84 TDP1 (0.56) TDP1L3MBTL1KMT2AGABRB3GABRA2
SCHEMBL19584403 0.84 TDP1 (0.56) TDP1L3MBTL1KMT2AMAPTMEN1
SCHEMBL1122017 0.83 TDP1 (0.55) TDP1L3MBTL1KMT2AMAPTMEN1
SCHEMBL16586047 0.83 TDP1 (0.55) TDP1L3MBTL1KMT2AMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900660-B1 HERBICIDAL AND FUNGICIDAL 3-HETEROARYLISOXAZOLIN-5-CARBOXAMIDES AND 3-HETEROARYLISOXAZOLIN-5-THIOAMIDES BAYER CROPSCIENCE AG (DE) 2018-01-17 EP disclosed
EP-2900644-B1 HERBICIDAL AND FUNGICIDAL 5-OXY-SUBSTITUTED 3-PHENYLISOXAZOLIN-5-CARBOXAMIDES AND 5-OXY-SUBSTITUTED 3-PHENYLISOXAZOLIN-5-THIOAMIDES BAYER CROPSCIENCE AG (DE) 2016-09-21 EP disclosed
US-20120021074-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME CORP. (US) 2012-01-26 US disclosed
US-20110190365-A1 Insecticidal 4-phenyl-1H-pyrazoles BAYER CROP SCIENCE AG (DE) 2011-08-04 US disclosed
US-20110190365-A1 Insecticidal 4-phenyl-1H-pyrazoles BAYER CROP SCIENCE AG (DE) 2011-08-04 US disclosed
US-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-12-30 US disclosed
WO-2009049798-A1 IMINOHETEROCYCLES FOR INSECTICIDES BAYER CROPSCIENCE AG (DE) 2009-04-23 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-20120021074-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 TDP1 1569/4885L3MBTL1 3218/4885KMT2A 4097/4885
US-20110190365-A1 Insecticidal 4-phenyl-1H-pyrazoles CYP4X1, CYP4B1, CYP3A4 TDP1 3826/4885L3MBTL1 1457/4885KMT2A 2623/4885
US-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES DDT, ACHE, TPM3 TDP1 148/4885L3MBTL1 1150/4885KMT2A 4054/4885

“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.