SCHEMBL20278554

SCHEMBL20278554

COCc1onc(C(=O)NCC(CN)C(C)C)c1C

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
HPGD P15428 1/20 0.31
LMNA P02545 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
SCHEMBL20278663 0.86 MEN1 (0.36) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL20278660 0.86 MEN1 (0.38) MEN1KMT2ARAB9AHPGD
SCHEMBL19484127 0.86 KMT2A (0.48) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL20283850 0.85 MEN1 (0.37) MEN1KMT2ARAB9AHPGD
SCHEMBL20278662 0.84 NPC1 (0.37) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL19484133 0.84 KMT2A (0.38) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL20278740 0.81 NPC1 (0.32) NPC1RAB9ASMN1; SMN2ALDH1A1HTT
SCHEMBL19484146 0.78 TRPV1 (0.40) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL20278616 0.77 TRPV1 (0.31) ALDH1A1HTT
SCHEMBL20278739 0.76 PDCD1LG2 (0.33) RAB9AHPGDLMNA

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-20180168159-A1 AGENT FOR CONTROLLING NOXIOUS ARTHROPODS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-06-21 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-20180168159-A1 AGENT FOR CONTROLLING NOXIOUS ARTHROPODS C3AR1, OPRM1, CHRM1 MEN1 4310/4885KMT2A 4503/4885NPC1 2445/4885

“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.