SCHEMBL25213670

SCHEMBL25213670

O=C(NC1CCCC1)c1ccon1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 13/20 0.54
RAB9A P51151 13/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
TSHR P16473 1/20 0.54
S1PR1 P21453 2/20 0.52
MLLT1 Q03111 1/20 0.52
KMT2A Q03164 5/20 0.51
TDP1 Q9NUW8 1/20 0.51
MEN1 O00255 4/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50

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
SCHEMBL30424616 0.98 NPC1 (0.56) NPC1RAB9ASMN1; SMN2TSHRS1PR1
SCHEMBL14108403 0.93 MLLT1 (0.47) NPC1RAB9ASMN1; SMN2TSHRS1PR1
Hydrochloric Acid SCHEMBL28847292 0.92 MLLT1 (0.46) NPC1RAB9ASMN1; SMN2TSHRS1PR1
SCHEMBL27028220 0.87 CNR2 (0.47) NPC1RAB9ASMN1; SMN2TSHRS1PR1
Hydrochloric Acid SCHEMBL693291 0.84 SMYD3 (0.59) NPC1RAB9AS1PR1MLLT1
SCHEMBL3367312 0.84 NPC1 (0.43) NPC1RAB9ASMN1; SMN2TSHRS1PR1
SCHEMBL31411804 0.81 CHRNA4 (0.40) NPC1RAB9ASMN1; SMN2TSHRS1PR1
SCHEMBL31411872 0.81 CHRNA4 (0.40) NPC1RAB9ASMN1; SMN2TSHRS1PR1
SCHEMBL30436829 0.80 GABRA1 (0.39) NPC1RAB9ASMN1; SMN2TSHRKMT2A
SCHEMBL31411850 0.78 CD38 (0.43) NPC1RAB9ASMN1; SMN2TSHRTDP1

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-20230167103-A1 SUBSTITUTED AMINOTHIAZOLES AS DGKZETA INHIBITORS FOR IMMUNE ACTIVATION BAYER AKTIENGESELLSCHAFT (DE) 2023-06-01 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-20230167103-A1 SUBSTITUTED AMINOTHIAZOLES AS DGKZETA INHIBITORS FOR IMMUNE ACTIVATION DGKZ, DGKA, DGKG NPC1 3360/4885RAB9A 949/4885SMN1; SMN2 4815/4885

“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.