SCHEMBL17670950

SCHEMBL17670950

C#CCNC(=O)c1ccc(Cl)nc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.58
RAB9A P51151 5/20 0.56
NPC1 O15118 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
CACNA1B Q00975 1/20 0.53
APBA1 Q02410 1/20 0.53
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
LMNA P02545 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 1/20 0.50
NAPRT Q6XQN6 1/20 0.50
MAPT P10636 1/20 0.49
PKM P14618 1/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL10645032 0.84 L3MBTL1 (0.58) L3MBTL1RAB9ANPC1SMN1; SMN2CACNA1B
SCHEMBL31280187 0.83 KDM4E (0.61) RAB9ANPC1SMN1; SMN2KMT2ACA12
SCHEMBL14996248 0.83 KDM4E (0.61) RAB9ANPC1SMN1; SMN2KMT2ACA12
SCHEMBL4395941 0.82 L3MBTL1 (0.63) L3MBTL1RAB9ANPC1SMN1; SMN2CACNA1B
SCHEMBL3407381 0.79 RAB9A (0.65) L3MBTL1RAB9ANPC1SMN1; SMN2CACNA1B
SCHEMBL4739128 0.79 CA12 (0.49) L3MBTL1RAB9ANPC1CA12CA1
SCHEMBL19251863 0.79 CA1 (0.56) L3MBTL1RAB9ANPC1SMN1; SMN2CA12
SCHEMBL12456093 0.79 L3MBTL1 (0.63) L3MBTL1RAB9ANPC1SMN1; SMN2CACNA1B
SCHEMBL18704329 0.78 CA12 (0.63) L3MBTL1RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL3409371 0.78 HPGD (0.59) L3MBTL1RAB9ANPC1SMN1; SMN2CACNA1B

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-10252997-B2 Monocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-04-09 US disclosed
US-20180079723-A1 MONOCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-03-22 US disclosed
EP-3279183-A1 MONOCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2018-02-07 EP disclosed
US-20170305894-A1 PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF Astellas Engineered Small Molecules US, Incorporated 2017-10-26 US disclosed
US-20170305894-A1 PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF Astellas Engineered Small Molecules US, Incorporated 2017-10-26 US disclosed
US-20170305894-A1 PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF Astellas Engineered Small Molecules US, Incorporated 2017-10-26 US disclosed
WO-2016057658-A9 PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF MITOBRIDGE, INC. (US) 2017-02-16 WO disclosed
WO-2016057658-A9 PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF MITOBRIDGE, INC. (US) 2017-02-16 WO disclosed
WO-2016057658-A1 PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF MITOBRIDGE, INC. (US) 2016-04-14 WO disclosed
WO-2016057658-A1 PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF MITOBRIDGE, INC. (US) 2016-04-14 WO 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 (3 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-10252997-B2 Monocyclic compound FABP1, CPT1A, GOT2 L3MBTL1 2226/4885RAB9A 3714/4885NPC1 112/4885
US-20180079723-A1 MONOCYCLIC COMPOUND FABP1, CPT1A, GOT2 L3MBTL1 2226/4885RAB9A 3714/4885NPC1 112/4885
US-20170305894-A1 PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF PPARG, PPARA, PPARD L3MBTL1 4845/4885RAB9A 2548/4885NPC1 658/4885

“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.