SCHEMBL19986368

SCHEMBL19986368

COC(=O)/C(=C\N(C)C)c1ccc2ncccc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.61
HTT P42858 1/20 0.61
PLK1 P53350 1/20 0.54
NPC1 O15118 4/20 0.48
RAB9A P51151 3/20 0.48
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
CYP3A4 P08684 1/20 0.46
DOT1L Q8TEK3 1/20 0.46
POLB P06746 2/20 0.45
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GAA P10253 1/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.44
SIRT1 Q96EB6 1/20 0.43

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
SCHEMBL19926118 1.00 ALOX15 (0.61) ALOX15HTTPLK1NPC1RAB9A
SCHEMBL19926117 1.00 ALOX15 (0.61) ALOX15HTTPLK1NPC1RAB9A
SCHEMBL28847522 0.86 ALOX15 (0.55) ALOX15HTTPLK1NPC1RAB9A
SCHEMBL2492569 0.80 ALOX15 (0.73) ALOX15HTTPLK1NPC1RAB9A
SCHEMBL2336677 0.78 ALOX15 (0.69) ALOX15HTTPLK1NPC1RAB9A
SCHEMBL30718649 0.77 ALOX15 (1.00) ALOX15HTTPLK1NPC1RAB9A
SCHEMBL265015 0.77 ALOX15 (1.00) ALOX15HTTPLK1NPC1RAB9A
SCHEMBL27928930 0.76 ALOX15 (0.97) ALOX15HTTPLK1NPC1RAB9A
SCHEMBL361516 0.75 ALOX15 (0.65) ALOX15HTTPLK1NPC1RAB9A
SCHEMBL10003539 0.74 ALOX15 (0.50) ALOX15HTTPLK1NPC1RAB9A

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
US-11325914-B1 Inhibitors of cellular metabolic processes SERVIER PHARMACEUTICALS LLC (US) 2022-05-10 US 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-20180079753-A1 INHIBITORS OF CELLULAR METABOLIC PROCESSES SERVIER PHARMACEUTICALS LLC 2018-03-22 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 (4 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-20190233424-A1 INHIBITORS OF CELLULAR METABOLIC PROCESSES MNAT1, MAT2A, PCK2 ALOX15 4229/4885HTT 2791/4885PLK1 661/4885
US-10800782-B2 Inhibitors of cellular metabolic processes MNAT1, MAT2A, PCK2 ALOX15 4229/4885HTT 2791/4885PLK1 661/4885
US-20180079753-A1 INHIBITORS OF CELLULAR METABOLIC PROCESSES MNAT1, MAT2A, PCK2 ALOX15 4229/4885HTT 2791/4885PLK1 661/4885
US-11325914-B1 Inhibitors of cellular metabolic processes MNAT1, MAT2A, PCK2 ALOX15 4229/4885HTT 2791/4885PLK1 661/4885

“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.