SCHEMBL14967490

SCHEMBL14967490

O=C1CCCN1CCNCCCO

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.53
TSHR P16473 3/20 0.47
MEN1 O00255 3/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL5476779 0.90 KMT2A (0.55) KMT2ATSHRMEN1PKMRAB9A
Hydrochloric Acid SCHEMBL10380721 0.88 KMT2A (0.53) KMT2ATSHRMEN1PKMRAB9A
SCHEMBL4396522 0.88 KMT2A (0.59) KMT2ATSHRMEN1PKMPOLB
SCHEMBL14967488 0.85 KMT2A (0.50) KMT2ATSHRMEN1PKMRAB9A
SCHEMBL4394146 0.84 KMT2A (0.52) KMT2ATSHRMEN1RAB9ANPC1
SCHEMBL4398015 0.82 KMT2A (0.50) KMT2ATSHRMEN1RAB9ANPC1
SCHEMBL312170 0.82 KMT2A (0.50) KMT2ATSHRMEN1PKMRAB9A
SCHEMBL4416421 0.81 KMT2A (0.50) KMT2ATSHRRAB9ANPC1ALDH1A1
SCHEMBL9684758 0.81 KMT2A (0.50) KMT2ATSHRRAB9ANPC1ALDH1A1
SCHEMBL4397528 0.80 KMT2A (0.49) KMT2ATSHRMEN1PKMRAB9A

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 4610/4885MEN1 4761/4885

“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.