SCHEMBL14967488

SCHEMBL14967488

[O]CCCNCCN1CCCC1=O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.50
TSHR P16473 2/20 0.44
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MALT1 Q9UDY8 1/20 0.41
MEN1 O00255 3/20 0.41
PIK3CD O00329 1/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DRD4 P21917 1/20 0.39

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
Hydrochloric Acid SCHEMBL10380721 0.89 KMT2A (0.53) KMT2ATSHRPOLBTDP1MALT1
SCHEMBL4396522 0.89 KMT2A (0.59) KMT2ATSHRPOLBTDP1MALT1
SCHEMBL4394146 0.85 KMT2A (0.52) KMT2ATSHRPOLBTDP1MALT1
SCHEMBL14967490 0.85 KMT2A (0.53) KMT2ATSHRPOLBTDP1MEN1
SCHEMBL4398015 0.84 KMT2A (0.50) KMT2ATSHRPOLBTDP1MALT1
SCHEMBL4416421 0.82 KMT2A (0.50) KMT2ATSHRPIK3CDRAB9ANPC1
SCHEMBL9684758 0.82 KMT2A (0.50) KMT2ATSHRPIK3CDRAB9ANPC1
SCHEMBL730495 0.81 PIK3CD (0.48) KMT2ATSHRPOLBTDP1MALT1
SCHEMBL22762568 0.81 KMT2A (0.55) KMT2ATSHRMEN1PIK3CDPKM
SCHEMBL5476779 0.81 KMT2A (0.55) KMT2ATSHRMEN1PIK3CDPKM

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-2780026-B1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2019-10-23 EP disclosed
US-9328138-B2 HCV NS3 protease inhibitors MSD ITALIA S.R.L. (IT) 2016-05-03 US disclosed
US-20140296136-A1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME LLC 2014-10-02 US disclosed
EP-2780026-A2 HCV NS3 PROTEASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2014-09-24 EP disclosed
WO-2013074386-A2 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-05-23 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-20140296136-A1 HCV NS3 PROTEASE INHIBITORS HAVCR2, GTF3C3, CTSC KMT2A 3629/4885TSHR 4610/4885POLB 2914/4885

“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.