SCHEMBL2264964

SCHEMBL2264964

N#CCC(=O)NCc1ccc(F)cc1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.70
LMNA P02545 3/20 0.62
HTT P42858 1/20 0.58
HPGD P15428 4/20 0.57
ALDH1A1 P00352 2/20 0.57
RAB9A P51151 2/20 0.57
TP53 P04637 2/20 0.55
KMT2A Q03164 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.51
POLB P06746 2/20 0.51
PLA2G1B P04054 1/20 0.50
ATG4B Q9Y4P1 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 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
SCHEMBL29249541 0.84 MCL1 (0.72) MCL1LMNAKMT2A
SCHEMBL6312788 0.83 HPGD (0.60) LMNAHPGDRAB9AKMT2APOLB
SCHEMBL2268566 0.83 MCL1 (0.70) MCL1LMNAHTTHPGDALDH1A1
SCHEMBL2260845 0.83 MCL1 (0.70) MCL1HPGDALDH1A1RAB9AKMT2A
SCHEMBL12389322 0.83 MCL1 (0.70) MCL1HPGDALDH1A1KMT2APOLB
SCHEMBL2263200 0.83 MCL1 (0.70) MCL1LMNAHPGDALDH1A1RAB9A
SCHEMBL22803039 0.83 MCL1 (0.60) MCL1LMNAHTTHPGDALDH1A1
SCHEMBL654148 0.82 MCL1 (1.00) MCL1LMNAHTTHPGDALDH1A1
SCHEMBL2263569 0.82 MCL1 (0.64) MCL1LMNARAB9APOLBCA12
SCHEMBL2262960 0.82 MCL1 (0.59) MCL1LMNAALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117916239-A 3-Substituted 1H-pyrrolo [2,3-b ] pyridines as GRK5 modulators 利德探索中心股份有限公司 2024-04-19 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-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-20030181420-A1 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS, INC. 2003-09-25 US disclosed
CN-1065744-C Treatment of diseases associated with platelet derived growth factor such as cancer SUGEN INC (US) 2001-05-16 CN disclosed
US-5700822-A ADMINISTERING TO THE PATIENT AN EFFECTIVE AMOUNT OF ISOXAZOLE AMIDE DERIVATIOVE AND CYANO, HYDROXY, AROMATIC AMIDE DERIVATIVE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-12-23 US disclosed
CN-1128496-A Treatment of platelet derived growth factor related disorders such as cancers using inhibitors of platelet derived growth receptor SUGEN INC (US) 1996-08-07 CN 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 (1 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-20030181420-A1 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors NR1H2, NR1H3, NCOA1 MCL1 3083/4885LMNA 695/4885HTT 4559/4885

“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.