SCHEMBL716404

SCHEMBL716404

COCc1nn(-c2ccccc2)cc1C=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.54
MEN1 O00255 5/20 0.54
NLRP3 Q96P20 1/20 0.54
PTGS2 P35354 1/20 0.54
ALDH1A1 P00352 6/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
POLB P06746 3/20 0.48
KDM4E B2RXH2 3/20 0.48
RAB9A P51151 2/20 0.48
THRB P10828 1/20 0.48
PKM P14618 1/20 0.48
RECQL P46063 1/20 0.48
LMNA P02545 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
HPGD P15428 2/20 0.41
P2RX7 Q99572 1/20 0.41
MAPT P10636 2/20 0.40
PSMD14 O00487 1/20 0.40

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
SCHEMBL719455 0.86 MEN1 (0.55) KMT2AMEN1NLRP3PTGS2ALDH1A1
SCHEMBL720576 0.85 MEN1 (0.49) KMT2AMEN1NLRP3PTGS2ALDH1A1
SCHEMBL14435489 0.83 PTGS2 (0.58) KMT2AMEN1NLRP3PTGS2ALDH1A1
SCHEMBL124130 0.83 PTGS2 (0.58) KMT2AMEN1NLRP3PTGS2ALDH1A1
SCHEMBL1806825 0.81 ALDH1A1 (0.39) KMT2AMEN1NLRP3PTGS2ALDH1A1
SCHEMBL27834359 0.81 ALDH1A1 (0.45) KMT2AMEN1NLRP3ALDH1A1RAB9A
SCHEMBL717944 0.80 MEN1 (0.42) KMT2AMEN1NLRP3PTGS2POLB
SCHEMBL4847055 0.78 KMT2A (0.53) KMT2AMEN1NLRP3PTGS2ALDH1A1
SCHEMBL717946 0.78 PTGS2 (0.55) KMT2AMEN1NLRP3PTGS2ALDH1A1
SCHEMBL27852360 0.77 RAB9A (0.50) KMT2AMEN1ALDH1A1SMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102015641-B Heterocyclic compound TAKEDA PHARMACEUTICAL 2014-01-01 CN disclosed
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
CN-102015641-A Heterocyclic compound TAKEDA PHARMACEUTICAL 2011-04-13 CN disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 EP 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP KMT2A 1298/4885MEN1 444/4885NLRP3 1630/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP KMT2A 1298/4885MEN1 444/4885NLRP3 1630/4885

“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.