SCHEMBL3329971

SCHEMBL3329971

Cc1cnc(-c2cc(N)c(Cl)c(C(=O)O)n2)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.36
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
CDK2 P24941 2/20 0.34
SRC P12931 1/20 0.34
ZAP70 P43403 1/20 0.34
SYK P43405 1/20 0.34
HDAC4 P56524 1/20 0.34
NOS1 P29475 1/20 0.33
CYP3A4 P08684 1/20 0.33
ATR Q13535 1/20 0.32
RAB9A P51151 5/20 0.32
KDM4E B2RXH2 4/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
POLB P06746 4/20 0.32
ALDH1A1 P00352 4/20 0.32
MAPT P10636 3/20 0.32
NPC1 O15118 3/20 0.32
HPGD P15428 2/20 0.32
GAA P10253 2/20 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
SCHEMBL3328008 0.86 KDM4E (0.39) KMT2ACDK2SRCZAP70SYK
SCHEMBL27529557 0.84 TDP1 (0.36) TDP1KMT2AMEN1CYP3A4RAB9A
SCHEMBL3329635 0.80 TDP1 (0.36) TDP1KMT2AMEN1CYP3A4RAB9A
SCHEMBL2469523 0.80 NPC1 (0.44) TDP1KMT2AMEN1CYP3A4RAB9A
SCHEMBL2470409 0.76 HSP90AA1 (0.41) TDP1HPGD
SCHEMBL2465973 0.75 KDM4E (0.47) TDP1KMT2AMEN1CYP3A4RAB9A
SCHEMBL3330567 0.74 KDM4A (0.48) TDP1CYP3A4RAB9AKDM4ESMN1; SMN2
SCHEMBL3331687 0.73 TDP1 (0.35) TDP1KMT2AMEN1CYP3A4RAB9A
SCHEMBL2468288 0.73 KDM4E (0.38) KMT2ARAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL2466198 0.72 PIM2 (0.42) TDP1KMT2AMEN1CYP3A4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962523-B2 Herbicide/safener combination BAYER CROPSCIENCE AG (DE) 2015-02-24 US disclosed
US-20150051074-A1 HERBICIDE/SAFENER COMBINATION BAYER CROPSCIENCE AG (DE) 2015-02-19 US disclosed
US-20100137137-A1 HERBICIDE/SAFENER COMBINATION BAYER CROPSCIENCE AG (DE) 2010-06-03 US disclosed
EP-1414814-B1 6-ARYL-4-AMINOPICOLINATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2005-02-02 EP disclosed
US-6784137-B2 SUCH AS 5,6-DICHLOROPYRIDINE-2-CARBOXYLIC ACID-N-OXIDE FOR PREEMERGENCE APPLICATION DOW AGROSCIENCES LLC 2004-08-31 US disclosed
US-20030114311-A1 6-Aryl-4-aminopicolinates and their use as herbicides CORTEVA AGRISCIENCE LLC 2003-06-19 US 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-20100137137-A1 HERBICIDE/SAFENER COMBINATION DDT, CYP2W1, GAP43 TDP1 281/4885KMT2A 1867/4885MEN1 3489/4885
US-20030114311-A1 6-Aryl-4-aminopicolinates and their use as herbicides AADAC, DDT, AADAT TDP1 3914/4885KMT2A 344/4885MEN1 4459/4885
US-20150051074-A1 HERBICIDE/SAFENER COMBINATION DDT, CYP2W1, GAP43 TDP1 281/4885KMT2A 1867/4885MEN1 3489/4885

“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.