SCHEMBL6317352

SCHEMBL6317352

COc1ccc(CNC(=O)CC#N)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.64
NPC1 O15118 4/20 0.60
GAA P10253 2/20 0.56
ALDH1A1 P00352 4/20 0.55
PKM P14618 2/20 0.54
RAB9A P51151 3/20 0.53
POLB P06746 2/20 0.53
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
TSHR P16473 2/20 0.52
ERCC1 P07992 1/20 0.52
ERCC4 Q92889 1/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
HPGD P15428 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
EPHX2 P34913 1/20 0.50
NR1H4 Q96RI1 1/20 0.50

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
SCHEMBL7025629 1.00 MCL1 (0.64) MCL1NPC1GAAALDH1A1PKM
SCHEMBL8579115 0.90 NPC1 (0.55) MCL1NPC1GAAALDH1A1PKM
SCHEMBL2263721 0.83 MCL1 (0.62) MCL1GAAALDH1A1CA12CA1
SCHEMBL2261867 0.82 ALDH1A1 (0.68) MCL1NPC1ALDH1A1POLBHPGD
SCHEMBL2263200 0.82 MCL1 (0.70) MCL1NPC1ALDH1A1RAB9APOLB
SCHEMBL2268566 0.82 MCL1 (0.70) MCL1ALDH1A1POLBCA12CA1
SCHEMBL2263988 0.82 MCL1 (0.74) MCL1NPC1GAAALDH1A1POLB
SCHEMBL2265136 0.81 MCL1 (0.59) MCL1CA12CA1CA2SMN1; SMN2
SCHEMBL3437003 0.81 ALDH1A1 (0.66) MCL1ALDH1A1POLBTSHRMEN1
SCHEMBL2263108 0.81 MCL1 (0.59) MCL1NPC1ALDH1A1PKMRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260070877-A1 FLUORINE-CONTAINING PYRIDONE COMPOUND AND METHOD FOR PRODUCING SAME UNIMATEC CO., LTD. (JP) 2026-03-12 US disclosed
EP-4628482-A1 FLUORINE-CONTAINING PYRIDONE COMPOUND AND METHOD FOR PRODUCING SAME Unimatec Co., Ltd. (JP) 2025-10-08 EP disclosed
WO-2024116528-A1 FLUORINE-CONTAINING PYRIDONE COMPOUND AND METHOD FOR PRODUCING SAME ユニマテック株式会社 2024-06-06 WO disclosed
CN-117777093-A Small molecule compound for preparing GnRH1R agonist 四川大学华西医院 2024-03-29 CN disclosed
WO-2020249821-A1 NOVEL ARGINASE INHIBITORS RIJKSUNIVERSITEIT GRONINGEN (NL) 2020-12-17 WO disclosed
US-7998986-B2 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US disclosed
EP-1435948-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-07-14 EP disclosed
WO-2003013517-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 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 (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-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors MAP3K9, MAP3K19, MAP4K2 MCL1 584/4885NPC1 3741/4885GAA 789/4885
US-20260070877-A1 FLUORINE-CONTAINING PYRIDONE COMPOUND AND METHOD FOR PRODUCING SAME NR4A1, POF1B, NR0B2 MCL1 994/4885NPC1 988/4885GAA 4830/4885

“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.