SCHEMBL14752201

SCHEMBL14752201

CC(C)(C)c1nc2n(c1C(C)(C)C)CCC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 4/20 0.33
HSD17B10 Q99714 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
USP2 O75604 1/20 0.33
CYP1A2 P05177 1/20 0.33
BCHE P06276 1/20 0.33
CFTR P13569 1/20 0.33
ALOX15 P16050 1/20 0.33
ACHE P22303 1/20 0.33
HKDC1 Q2TB90 1/20 0.33
GOPC Q9HD26 1/20 0.33
ATM Q13315 1/20 0.33
POLB P06746 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
APEX1 P27695 1/20 0.31
RECQL P46063 1/20 0.31

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
SCHEMBL12996126 0.94 POLB (0.39) KDM4EALDH1A1SMN1; SMN2POLBMEN1
SCHEMBL24415145 0.93 POLB (0.42) ALDH1A1HSD17B10SMN1; SMN2ALOX15POLB
SCHEMBL22330359 0.82 MEN1 (0.42) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL18622281 0.77 KDM4E (0.34) KDM4EALDH1A1HSD17B10SMN1; SMN2TDP1
SCHEMBL14754853 0.77 KDM4E (0.34) KDM4EALDH1A1HSD17B10SMN1; SMN2TDP1
SCHEMBL23546705 0.77 KDM4E (0.38) KDM4EALDH1A1HSD17B10SMN1; SMN2TDP1
SCHEMBL24656125 0.70 MEN1 (0.35) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL14030258 0.64 POLB (0.47) KDM4EALDH1A1CYP1A2POLBMEN1
SCHEMBL13377167 0.63 SMN1; SMN2 (0.41) KDM4EALDH1A1HSD17B10SMN1; SMN2TDP1
SCHEMBL13377027 0.63 SMN1; SMN2 (0.44) KDM4EALDH1A1HSD17B10SMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192720-A1 MACROCYCLIC COMPOUNDS ZENO MANAGEMENT, INC. 2023-06-22 US disclosed
US-20230192720-A1 MACROCYCLIC COMPOUNDS ZENO MANAGEMENT, INC. 2023-06-22 US disclosed
US-20220144854-A1 MACROCYCLIC COMPOUNDS ZENO MANAGEMENT, INC. 2022-05-12 US disclosed
US-9593109-B2 Bicyclic agonists of GPR131 and uses thereof CYMABAY THERAPEUTICS, INC. (US) 2017-03-14 US disclosed
US-9593109-B2 Bicyclic agonists of GPR131 and uses thereof CYMABAY THERAPEUTICS, INC. (US) 2017-03-14 US disclosed
US-20130059845-A1 BICYCLIC AGONISTS OF GPR131 AND USES THEREOF METABOLEX, INC. 2013-03-07 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 (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-20230192720-A1 MACROCYCLIC COMPOUNDS MCL1, BCL2A1, BCL2L1 KDM4E 2397/4885ALDH1A1 1086/4885HSD17B10 3206/4885
US-20220144854-A1 MACROCYCLIC COMPOUNDS MCL1, BCL9, CYC1 KDM4E 610/4885ALDH1A1 276/4885HSD17B10 3262/4885
US-20130059845-A1 BICYCLIC AGONISTS OF GPR131 AND USES THEREOF GPR119, GPR88, GPR3 KDM4E 4392/4885ALDH1A1 2048/4885HSD17B10 1243/4885

“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.