SCHEMBL1106604

SCHEMBL1106604

[C-]#[N+]c1ccc(-c2coc(C)n2)cc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 5/20 0.62
ENPP1 P22413 3/20 0.62
TP53 P04637 6/20 0.43
POLB P06746 2/20 0.43
THRB P10828 3/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
PKM P14618 1/20 0.39
PARP1 P09874 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
NPC1 O15118 1/20 0.39
NR2F2 P24468 1/20 0.39
RAB9A P51151 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
SCHEMBL12112408 0.79 ENPP3 (0.96) ENPP3ENPP1TP53POLBTHRB
Ammonia Solution, Strong SCHEMBL28862464 0.77 ENPP3 (0.92) ENPP3ENPP1TP53POLBTHRB
SCHEMBL2056109 0.76 ENPP3 (0.69) ENPP3ENPP1TP53POLBTHRB
SCHEMBL6986241 0.76 ENPP3 (0.69) ENPP3ENPP1TP53POLBTHRB
SCHEMBL8117354 0.76 ENPP3 (0.69) ENPP3ENPP1TP53POLBTHRB
SCHEMBL24415640 0.76 ENPP3 (0.69) ENPP3ENPP1TP53POLBTHRB
SCHEMBL1169116 0.76 ENPP3 (0.69) ENPP3ENPP1TP53POLBTHRB
SCHEMBL2265105 0.75 ENPP3 (0.68) ENPP3ENPP1TP53POLBTHRB
SCHEMBL1106600 0.75 IRAK4 (0.39) ENPP3ENPP1
SCHEMBL201523 0.73 ENPP3 (0.96) ENPP3ENPP1TP53POLBTHRB

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
US-20160016907-A1 PYRIDINE DERIVATIVES AS MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS PFIZER INC. (US) 2016-01-21 US disclosed
US-8377974-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
US-20120178733-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2012-07-12 US disclosed
US-8153670-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-10 US disclosed
US-20090298806-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-12-03 US disclosed
US-7521470-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-21 US 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 (3 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-20090298806-A1 FACTOR XA INHIBITORS TFPI, F12, F11 ENPP3 1266/4885ENPP1 1005/4885TP53 3707/4885
US-20160016907-A1 PYRIDINE DERIVATIVES AS MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, CHRM2, CHRM4 ENPP3 1766/4885ENPP1 1139/4885TP53 2420/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 ENPP3 1266/4885ENPP1 1005/4885TP53 3707/4885

“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.