SCHEMBL31286639

SCHEMBL31286639

Clc1ccc(-c2nncs2)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.53
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 2/20 0.53
GAA P10253 2/20 0.53
MGAM O43451 1/20 0.53
SI P14410 1/20 0.53
MGAM2 Q2M2H8 1/20 0.53
HSD11B1 P28845 3/20 0.44
AHR P35869 1/20 0.41
NPC1 O15118 4/20 0.40
HPGD P15428 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HSD17B10 Q99714 2/20 0.40
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PRKD3 O94806 1/20 0.39
PRKCG P05129 1/20 0.39
PRKCB P05771 1/20 0.39
IL1R1 P14778 1/20 0.39

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
SCHEMBL28823055 0.82 ALDH1A1 (0.36) RAB9AALDH1A1KDM4EGAAMGAM
SCHEMBL28838395 0.79 IDO1 (0.45) RAB9AALDH1A1KDM4EGAAMGAM
SCHEMBL30314645 0.77 ALDH1A1 (0.50) RAB9AALDH1A1KDM4EHSD11B1NPC1
SCHEMBL7146697 0.72 FBP1 (0.47) RAB9AALDH1A1KDM4EGAAMGAM
SCHEMBL8859981 0.70 FBP1 (0.49) RAB9AALDH1A1KDM4EGAAMGAM
SCHEMBL31264268 0.70 NOTUM (0.46) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL29624840 0.70 AHR (0.64) RAB9AALDH1A1KDM4EGAAMGAM
SCHEMBL464507 0.70 AHR (0.64) RAB9AALDH1A1KDM4EGAAMGAM
SCHEMBL3434993 0.69 ALDH1A1 (1.00) RAB9AALDH1A1KDM4EGAAMGAM
SCHEMBL22816341 0.69 SHMT1 (0.49) RAB9AALDH1A1KDM4EGAAMGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240343717-A1 MICROBIOCIDAL PYRAZOLE DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2024-10-17 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 (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-20240343717-A1 MICROBIOCIDAL PYRAZOLE DERIVATIVES NOX1, CASP1, CYP51A1 RAB9A 1637/4885ALDH1A1 533/4885KDM4E 3689/4885

“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.