SCHEMBL27099044

SCHEMBL27099044

CCCNC(=O)CCc1c[nH]c2ccccc12

nearest known ligand 0.82

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.77
MAPT P10636 2/20 0.71
ALDH1A1 P00352 1/20 0.71
GAA P10253 1/20 0.71
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
GFER P55789 1/20 0.70
AANAT Q16613 1/20 0.64
CYP1A2 P05177 2/20 0.63
CYP2C19 P33261 2/20 0.63
LMNA P02545 1/20 0.63
PKM P14618 1/20 0.63
TSHR P16473 1/20 0.63
BLM P54132 1/20 0.63
POLB P06746 1/20 0.61
HPGD P15428 3/20 0.61
RECQL P46063 2/20 0.61
HTT P42858 1/20 0.61
CYP2D6 P10635 1/20 0.57

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
SCHEMBL27099048 0.91 MTNR1A (0.80) MTNR1AMAPTALDH1A1GAAMEN1
SCHEMBL761481 0.90 MTNR1A (0.88) MTNR1AMAPTALDH1A1GAAMEN1
SCHEMBL7677886 0.90 MEN1 (0.84) MTNR1AMAPTALDH1A1GAAMEN1
SCHEMBL27099051 0.90 MTNR1A (0.82) MTNR1AMAPTALDH1A1GAAMEN1
SCHEMBL13973308 0.89 MAPT (0.74) MTNR1AMAPTALDH1A1GAAMEN1
SCHEMBL7973988 0.88 MEN1 (0.71) MTNR1AMAPTALDH1A1GAAMEN1
SCHEMBL1068274 0.87 MTNR1A (1.00) MTNR1AMAPTALDH1A1MEN1KMT2A
SCHEMBL10272692 0.86 MTNR1A (0.64) MTNR1AMAPTALDH1A1GAAMEN1
Acetic Acid SCHEMBL7972183 0.86 MAPT (0.66) MTNR1AMAPTALDH1A1GAAMEN1
SCHEMBL29926356 0.86 MTNR1A (0.98) MTNR1AMAPTALDH1A1MEN1KMT2A

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-11912687-B2 3,4,5-trisubstituted-1,2,4-triazoles and 3,4,5-trisubstituted-3-thio-1,2,4-triazoles and uses thereof Board of Trustees of the Southern Illinois University (US) 2024-02-27 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-11912687-B2 3,4,5-trisubstituted-1,2,4-triazoles and 3,4,5-trisubstituted-3-thio-1,2,4-triazoles and uses thereof SSTR4, SSTR5, SSTR3 MTNR1A 178/4885MAPT 4529/4885ALDH1A1 2538/4885

“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.