SCHEMBL17801762

SCHEMBL17801762

Cc1cc(F)c(Nc2ccc3nc(-c4cccnc4)sc3c2)cc1[S+]([O-])CC(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
MAPT P10636 7/20 0.38
LMNA P02545 2/20 0.38
CYP3A4 P08684 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
APP P05067 6/20 0.36
TP53 P04637 1/20 0.35
MEN1 O00255 7/20 0.35
KMT2A Q03164 7/20 0.35
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
KDM4E B2RXH2 3/20 0.34
POLB P06746 1/20 0.34
PKM P14618 1/20 0.34
RORC P51449 2/20 0.33
GAA P10253 2/20 0.33
HPGD P15428 2/20 0.33
NFKB1 P19838 1/20 0.33

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
SCHEMBL17801745 0.93 NPC1 (0.40) NPC1RAB9AMAPTLMNACYP3A4
SCHEMBL17801780 0.85 NPC1 (0.41) NPC1RAB9AMAPTLMNACYP3A4
SCHEMBL17801677 0.82 NPC1 (0.40) NPC1RAB9AMAPTLMNACYP3A4
SCHEMBL17801249 0.82 NPC1 (0.40) NPC1RAB9AMAPTLMNACYP3A4
SCHEMBL17812976 0.81 NPC1 (0.42) NPC1RAB9AMAPTLMNACYP3A4
SCHEMBL17803402 0.77 NPC1 (0.36) NPC1RAB9AMAPTLMNACYP3A4
SCHEMBL17802461 0.77 CYP1A2 (0.34) NPC1RAB9AMAPTLMNACYP3A4
SCHEMBL17801775 0.75 NPC1 (0.41) NPC1RAB9AMAPTLMNACYP3A4
SCHEMBL17802464 0.74 NPC1 (0.35) NPC1RAB9AMAPTLMNACYP3A4
SCHEMBL17803410 0.73 NPC1 (0.38) NPC1RAB9AMAPTLMNACYP3A4

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-20170325459-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-11-16 US disclosed
US-20170325459-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-11-16 US disclosed
US-20170325459-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-11-16 US disclosed
EP-3227283-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS Bayer CropScience AG (DE) 2017-10-11 EP disclosed
WO-2016087371-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-06-09 WO disclosed
WO-2016087371-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-06-09 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 (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-20170325459-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, BCHE, BAK1 NPC1 2214/4885RAB9A 524/4885MAPT 3026/4885

“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.