SCHEMBL1229626

SCHEMBL1229626

NCc1cccc(NC(=O)c2ccc(F)cc2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.71
KMT2A Q03164 7/20 0.71
KCNK3 O14649 2/20 0.66
KCNK9 Q9NPC2 1/20 0.66
SIRT2 Q8IXJ6 1/20 0.57
SIRT1 Q96EB6 1/20 0.57
SIRT3 Q9NTG7 1/20 0.57
RAB9A P51151 2/20 0.55
NPC1 O15118 1/20 0.55
HPGD P15428 1/20 0.55
ACKR3 P25106 2/20 0.55
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
POLB P06746 1/20 0.54
HPSE Q9Y251 1/20 0.53
SNCA P37840 1/20 0.52
ITGB3 P05106 1/20 0.52
ITGA2B P08514 1/20 0.52
LOX P28300 1/20 0.52

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
SCHEMBL28956237 0.87 KMT2A (0.57) MEN1KMT2AKCNK3KCNK9LMNA
SCHEMBL20473794 0.87 MEN1 (0.73) MEN1KMT2AKCNK3KCNK9SIRT2
SCHEMBL6681834 0.86 KCNK3 (0.69) MEN1KMT2AKCNK3KCNK9SIRT1
SCHEMBL4170179 0.84 PTPN1 (0.67) MEN1KMT2ARAB9ANPC1LMNA
SCHEMBL2358354 0.84 MEN1 (1.00) MEN1KMT2AKCNK3KCNK9RAB9A
SCHEMBL28200510 0.84 SIRT2 (0.57) SIRT2SIRT1SIRT3RAB9ANPC1
SCHEMBL8269604 0.82 ALDH1A1 (0.59) MEN1KMT2ASIRT2SIRT1SIRT3
SCHEMBL28217592 0.81 MEN1 (0.66) MEN1KMT2ARAB9ANPC1LMNA
SCHEMBL22699737 0.80 MEN1 (0.84) MEN1KMT2AKCNK3KCNK9RAB9A
SCHEMBL3146770 0.80 MEN1 (0.78) MEN1KMT2AKCNK3KCNK9RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2462141-B1 NOVEL AZAHETEROCYCLIC COMPOUNDS MERCK PATENT GMBH (DE) 2017-09-27 EP disclosed
US-9023847-B2 Azaheterocyclic compounds MERCK PATENT GMBH (DE) 2015-05-05 US disclosed
US-20120277228-A1 Novel Azaheterocyclic Compounds MERCK PATENT GMBH (DE) 2012-11-01 US disclosed
EP-2462141-A1 NOVEL AZAHETEROCYCLIC COMPOUNDS Merck Patent GmbH (DE) 2012-06-13 EP disclosed
WO-2011017009-A1 NOVEL AZAHETEROCYCLIC COMPOUNDS MERCK PATENT GMBH (DE) 2011-02-10 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 (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-20120277228-A1 Novel Azaheterocyclic Compounds PCNA, MCL1, MYC MEN1 1021/4885KMT2A 793/4885KCNK3 4392/4885

“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.