SCHEMBL4771325

SCHEMBL4771325

CCN(c1ccccc1)c1nc(C)c(C(=O)OCCC(C)=C(F)F)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
ALDH1A1 P00352 6/20 0.43
HPGD P15428 5/20 0.43
MAPT P10636 5/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
LMNA P02545 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 2/20 0.39
MEN1 O00255 4/20 0.39
CYP2C9 P11712 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 3/20 0.38
CSNK1D P48730 1/20 0.38
PKM P14618 1/20 0.38
KCNH2 Q12809 1/20 0.38
TSHR P16473 2/20 0.38

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
SCHEMBL4771194 0.92 RAB9A (0.44) KMT2ANPC1RAB9AALDH1A1HPGD
SCHEMBL4763093 0.92 KDM4E (0.41) KMT2ANPC1RAB9AALDH1A1HPGD
SCHEMBL4770501 0.89 RAB9A (0.41) KMT2ANPC1RAB9AALDH1A1HPGD
SCHEMBL4762506 0.88 RAB9A (0.41) KMT2ANPC1RAB9AALDH1A1HPGD
SCHEMBL4762382 0.88 RAB9A (0.44) KMT2ANPC1RAB9AALDH1A1HPGD
SCHEMBL4767663 0.79 RAB9A (0.38) KMT2ANPC1RAB9AALDH1A1HPGD
SCHEMBL4767637 0.78 SMN1; SMN2 (0.54) KMT2ANPC1RAB9AALDH1A1HPGD
SCHEMBL4767515 0.78 RAB9A (0.42) KMT2ANPC1RAB9AALDH1A1HPGD
SCHEMBL4771392 0.78 ALDH1A1 (0.41) KMT2ANPC1RAB9AALDH1A1HPGD
SCHEMBL4769325 0.78 KMT2A (0.40) KMT2ANPC1RAB9AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1439169-B1 DIFLUOROALKENE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE SAME, AND INTERMEDIATE THEREFOR KUMIAI CHEMICAL INDUSTRY CO (JP) 2008-08-06 EP disclosed
US-7273878-B2 Difluoroalkene derivative, pest control agent containing the same, and intermediate therefor KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2007-09-25 US disclosed
US-20040248872-A1 Difluoroalkene derivative, pest control agent containing the same, and intermediate therefor IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2004-12-09 US disclosed
EP-1439169-A1 DIFLUOROALKENE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE SAME, AND INTERMEDIATE THEREFOR KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2004-07-21 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 (1 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-20040248872-A1 Difluoroalkene derivative, pest control agent containing the same, and intermediate therefor DDT, WEE1, NOTUM KMT2A 770/4885NPC1 2528/4885RAB9A 838/4885

“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.