SCHEMBL29408485

SCHEMBL29408485

C[C@H](Cc1ccsc1)NC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ NPC1 O15118 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ MGLL Q99685 2/20 0.46
▸ MAPT P10636 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ BCL9 O00512 1/20 0.42
▸ CTNNB1 P35222 1/20 0.42
▸ OPRM1 P35372 7/20 0.41
▸ OPRD1 P41143 4/20 0.41
▸ OPRK1 P41145 4/20 0.41
▸ OPRL1 P41146 1/20 0.41
▸ GAA P10253 1/20 0.41

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
SCHEMBL20804967 1.00 MEN1 (0.49) MEN1KMT2ANPC1TP53RAB9A
SCHEMBL18375274 1.00 MEN1 (0.49) MEN1KMT2ANPC1TP53RAB9A
SCHEMBL18375355 0.87 MGLL (0.47) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL18375247 0.78 MGLL (0.58) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL18375248 0.77 MGLL (0.46) KMT2ANPC1RAB9ASMN1; SMN2MGLL
SCHEMBL2773142 0.77 MGLL (0.64) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL7257343 0.76 MGLL (0.57) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL20369772 0.75 FAAH (0.46) MEN1KMT2ANPC1TP53RAB9A
SCHEMBL25854286 0.74 KMT2A (0.56) MEN1KMT2ARAB9ASMN1; SMN2MGLL
SCHEMBL7310246 0.73 HTR2A (0.60) KMT2ARAB9ASMN1; SMN2MGLLHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11484525-B2 Mu opioid receptor modulators THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-11-01 — — US disclosed
EP-3319444-B1 MU OPIOID RECEPTOR MODULATORS UNIV CALIFORNIA (US) 2022-03-09 — — EP 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-11484525-B2 Mu opioid receptor modulators OPRM1, OPRK1, OPRD1 MEN1 4881/4885KMT2A 3011/4885NPC1 3473/4885

“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.

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