SCHEMBL11325797

SCHEMBL11325797

COC(=O)Cc1nc2ccc(C)cc2s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.59
NPC1 O15118 9/20 0.59
SMN1; SMN2 Q16637 6/20 0.59
TP53 P04637 2/20 0.59
DYRK1A Q13627 1/20 0.56
PTPN1 P18031 1/20 0.54
ALDH1A1 P00352 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CSNK1D P48730 2/20 0.53
ACP1 P24666 1/20 0.52
MAPT P10636 3/20 0.52
KLF5 Q13887 1/20 0.52
LMNA P02545 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MITF O75030 1/20 0.50
POLB P06746 1/20 0.50
APEX1 P27695 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
GAA P10253 1/20 0.48

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
SCHEMBL16677014 0.87 PTPN1 (0.60) RAB9ANPC1SMN1; SMN2TP53DYRK1A
SCHEMBL11336717 0.84 DYRK1A (0.57) RAB9ANPC1SMN1; SMN2DYRK1APTPN1
SCHEMBL16674773 0.84 DYRK1A (0.60) RAB9ANPC1SMN1; SMN2TP53DYRK1A
SCHEMBL11334654 0.83 DYRK1A (0.56) RAB9ANPC1SMN1; SMN2TP53DYRK1A
SCHEMBL30440638 0.82 DYRK1A (0.55) RAB9ANPC1SMN1; SMN2TP53DYRK1A
SCHEMBL11018181 0.82 DYRK1A (0.55) RAB9ANPC1SMN1; SMN2TP53DYRK1A
SCHEMBL4028624 0.81 MAPT (0.62) RAB9ANPC1SMN1; SMN2DYRK1AALDH1A1
SCHEMBL19941788 0.80 DYRK1A (0.52) RAB9ANPC1SMN1; SMN2TP53DYRK1A
Bromide SCHEMBL6428429 0.79 MAPT (0.60) RAB9ANPC1SMN1; SMN2DYRK1AALDH1A1
SCHEMBL17038162 0.77 RAB9A (0.56) RAB9ANPC1SMN1; SMN2TP53DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11325914-B1 Inhibitors of cellular metabolic processes SERVIER PHARMACEUTICALS LLC (US) 2022-05-10 US disclosed
WO-2021158792-A1 METHODS OF TREATING AUTOIMMUNE OR INFLAMMATORY DISEASES OR DISORDERS AGIOS PHARMACEUTICALS, INC. (US) 2021-08-12 WO disclosed
US-10800782-B2 Inhibitors of cellular metabolic processes Agios Pharmaceutical, Inc. (US) 2020-10-13 US disclosed
US-20190233424-A1 INHIBITORS OF CELLULAR METABOLIC PROCESSES SERVIER PHARMACEUTICALS LLC 2019-08-01 US disclosed
US-10329298-B2 Inhibitors of cellular metabolic processes AGIOS PHARMACEUTICALS, INC. (US) 2019-06-25 US disclosed
US-20180079753-A1 INHIBITORS OF CELLULAR METABOLIC PROCESSES SERVIER PHARMACEUTICALS LLC 2018-03-22 US disclosed
US-20180079753-A1 INHIBITORS OF CELLULAR METABOLIC PROCESSES SERVIER PHARMACEUTICALS LLC 2018-03-22 US disclosed
WO-2018039972-A1 INHIBITORS OF CELLULAR METABOLIC PROCESSES AGIOS PHARMACEUTICALS, INC. (US) 2018-03-08 WO disclosed
US-4260770-A Naphtholactam dyes CIBA-GEIGY AKTIENGESELLSCHAFT (DE) 1981-04-07 US disclosed
US-4256896-A THIAZOLE, IMIDAZOLINE, AND OXAZOLINE DYES; DISPERSE DYES; ANIONIC DYES; TEXTILES CIBA-GEIGY AKTIENGESELLSCHAFT (DE) 1981-03-17 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 (5 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-10329298-B2 Inhibitors of cellular metabolic processes MNAT1, MAT2A, PCK2 RAB9A 512/4885NPC1 2877/4885SMN1; SMN2 2162/4885
US-20190233424-A1 INHIBITORS OF CELLULAR METABOLIC PROCESSES MNAT1, MAT2A, PCK2 RAB9A 512/4885NPC1 2877/4885SMN1; SMN2 2162/4885
US-10800782-B2 Inhibitors of cellular metabolic processes MNAT1, MAT2A, PCK2 RAB9A 512/4885NPC1 2877/4885SMN1; SMN2 2162/4885
US-20180079753-A1 INHIBITORS OF CELLULAR METABOLIC PROCESSES MNAT1, MAT2A, PCK2 RAB9A 512/4885NPC1 2877/4885SMN1; SMN2 2162/4885
US-11325914-B1 Inhibitors of cellular metabolic processes MNAT1, MAT2A, PCK2 RAB9A 512/4885NPC1 2877/4885SMN1; SMN2 2162/4885

“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.