SCHEMBL3554940

SCHEMBL3554940

COC(=O)c1cnc(C)c(C(=O)O)c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 1/20 0.40
POLB P06746 3/20 0.39
NPC1 O15118 1/20 0.39
ABL1 P00519 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
BCL2L1 Q07817 1/20 0.39
MCL1 Q07820 1/20 0.39
RIN1 Q13671 1/20 0.39
SAE1 Q9UBE0 1/20 0.39
UBA2 Q9UBT2 1/20 0.39
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 5/20 0.38
HSD17B10 Q99714 2/20 0.38
GAA P10253 2/20 0.36

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
SCHEMBL10767045 0.85 KDM4E (0.50) KDM4EKMT2AMEN1NPC1MAPT
SCHEMBL754676 0.83 KDM4E (0.41) KDM4EKMT2APOLBNPC1MAPT
SCHEMBL3560430 0.81 KDM4E (0.46) KDM4EKMT2AMEN1NPC1ABL1
SCHEMBL754657 0.79 SMN1; SMN2 (0.40) KDM4EKMT2APOLBNPC1ABL1
SCHEMBL192118 0.79 MAPT (0.40) KDM4EKMT2APOLBNPC1ABL1
SCHEMBL8847270 0.78 KDM4E (0.59) KDM4EKMT2APOLBNPC1MAPT
SCHEMBL9390183 0.75 KMT2A (0.48) KDM4EKMT2AMEN1POLBNPC1
SCHEMBL2489464 0.74 KDM4E (0.49) KDM4EKMT2APOLBNPC1MAPT
SCHEMBL2483707 0.73 KDM4E (0.49) KDM4EKMT2AMEN1MAPTALDH1A1
SCHEMBL27772795 0.73 POLB (0.39) KDM4EKMT2AMEN1POLBRECQL

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-7659307-B2 Nonphytotoxic; 4-Bromo-3-methoxy-N-4-[4(trifluoromethyl)phenoxy]phenyl-thiophene-2-carboxamide; 4-[(Allyloxycarbonyl)amino]-3-methoxy-N-4-[4-(trifluoromethyl)phenoxy]phenyl-thiophene-2-carboxamide BAYER CROPSCIENCE S.A. (FR) 2010-02-09 US disclosed
US-20060205732-A1 Heterocyclic carboxamides and their use as fungicides BAYER SAS (FR) 2006-09-14 US disclosed
US-7084163-B2 Heterocyclic carboxamides and their use as fungicides BAYER CROPSCIENCE S.A. (FR) 2006-08-01 US disclosed
US-20040152698-A1 Heterocyclic carboxamides and their use as fungicides BAYER SAS (FR) 2004-08-05 US disclosed
EP-1425276-A2 HETEROCYCLIC CARBOXAMIDES AND THEIR USE AS FUNGICIDES Bayer CropScience S.A. (FR) 2004-06-09 EP disclosed
WO-2003006454-A2 HETEROCYCLIC CARBOXAMIDES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE S.A. (FR) 2003-01-23 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 (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-20040152698-A1 Heterocyclic carboxamides and their use as fungicides CYP1A2, CYP4X1, CYCS KDM4E 543/4885KMT2A 333/4885MEN1 3722/4885
US-20060205732-A1 Heterocyclic carboxamides and their use as fungicides CYP4X1, CYP1A2, CYCS KDM4E 501/4885KMT2A 358/4885MEN1 3989/4885

“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.