SCHEMBL23911658

SCHEMBL23911658

Nc1nc(-c2c(F)ccc(Br)c2F)no1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.43
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
LMNA P02545 1/20 0.37
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RECQL P46063 1/20 0.36
CHRNB2 P17787 1/20 0.33
CHRNA5 P30532 1/20 0.33
CHRNA4 P43681 1/20 0.33
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
IDO1 P14902 1/20 0.30

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
SCHEMBL23911674 0.77 NOTUM (0.55) NOTUMNPC1RAB9ALMNACASP3
SCHEMBL6003977 0.66 RECQL (0.58) NOTUMRECQL
SCHEMBL24061386 0.66 NOTUM (0.66) NOTUMNPC1RAB9ACASP3SENP8
SCHEMBL24800050 0.64 HDAC1 (0.46) NOTUMNPC1RECQL
SCHEMBL30216060 0.63 KDM1A (0.38)
SCHEMBL1494553 0.63 KDM1A (0.38)
SCHEMBL18977807 0.62 NOTUM (0.66) NOTUMNPC1RAB9ACASP3SENP8
SCHEMBL31097867 0.61 ALDH1A1 (0.38) LMNAL3MBTL1
SCHEMBL3407155 0.61 NOTUM (1.00) NOTUMNPC1RAB9ACASP3SENP8
SCHEMBL2768635 0.61 NOTUM (0.70) NOTUMNPC1RAB9ALMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210317112-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER AG (DE) 2021-10-14 US disclosed
US-20210317112-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER AG (DE) 2021-10-14 US disclosed
CN-111601802-A Heterocyclic compounds as pesticides 拜耳股份有限公司 2020-08-28 CN 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-20210317112-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES DDT, ACHE, PTMS NOTUM 308/4885NPC1 3224/4885RAB9A 1676/4885

“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.