SCHEMBL20514191

SCHEMBL20514191

O=c1[nH]cnc2scc(-c3cccc4ccccc34)c12

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.63
NPC1 O15118 3/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
CHEK1 O14757 1/20 0.58
PKM P14618 2/20 0.54
GAA P10253 2/20 0.54
ALDH1A1 P00352 2/20 0.54
USP2 O75604 1/20 0.54
SIRT5 Q9NXA8 1/20 0.51
KMT2A Q03164 1/20 0.48
HTT P42858 1/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 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
SCHEMBL2369006 0.81 RAB9A (0.66) RAB9ANPC1SMN1; SMN2CHEK1PKM
SCHEMBL2368706 0.79 RAB9A (0.97) RAB9ANPC1SMN1; SMN2CHEK1PKM
SCHEMBL2368821 0.73 CHEK1 (1.00) RAB9ANPC1SMN1; SMN2CHEK1PKM
SCHEMBL20513932 0.73 PDPK1 (0.40) RAB9ANPC1SMN1; SMN2GAAALDH1A1
SCHEMBL20514008 0.72 HTT (0.55) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL2368460 0.70 RAB9A (0.76) RAB9ANPC1SMN1; SMN2CHEK1PKM
SCHEMBL2368426 0.70 RAB9A (1.00) RAB9ANPC1SMN1; SMN2CHEK1PKM
SCHEMBL2368692 0.70 RAB9A (0.76) RAB9ANPC1SMN1; SMN2CHEK1PKM
SCHEMBL2369146 0.70 GAA (1.00) RAB9ANPC1SMN1; SMN2CHEK1PKM
SCHEMBL3979882 0.69 RAB9A (0.70) RAB9ANPC1SMN1; SMN2CHEK1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107709334-B Novel amino acid derivatives, process for their preparation and pharmaceutical compositions containing them 法国施维雅药厂 2021-04-13 CN disclosed
US-10457687-B2 Aminoacid derivatives, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2019-10-29 US disclosed
US-20190031675-A1 AMINOACID DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2019-01-31 US disclosed
EP-3313850-B1 NEW AMINOACID DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2018-10-03 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 (2 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-20190031675-A1 AMINOACID DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BAX, ARG2, ANXA5 RAB9A 305/4885NPC1 2947/4885SMN1; SMN2 849/4885
US-10457687-B2 Aminoacid derivatives, a process for their preparation and pharmaceutical compositions containing them BAX, ARG2, ANXA5 RAB9A 305/4885NPC1 2947/4885SMN1; SMN2 849/4885

“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.