SCHEMBL425447

SCHEMBL425447

O=C(NC1CCCCC1)n1nnc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
TSHR P16473 1/20 0.55
MAPK1 P28482 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
GAA P10253 2/20 0.54
FAAH O00519 2/20 0.52
MGLL Q99685 2/20 0.52
MGAM O43451 1/20 0.50
F2 P00734 1/20 0.50
AMY1A P0DUB6 1/20 0.50
SI P14410 1/20 0.50
HPGD P15428 1/20 0.50
SLC9A1 P19634 1/20 0.50
MGAM2 Q2M2H8 1/20 0.50
ASAH1 Q13510 2/20 0.49
RAB9A P51151 1/20 0.49
P2RX1 P51575 1/20 0.48
P2RX3 P56373 1/20 0.48
P2RX4 Q99571 1/20 0.48

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
SCHEMBL12593868 0.83 ASAH1 (0.53) KMT2AMEN1TSHRMAPK1SMN1; SMN2
SCHEMBL444445 0.77 HSD11B1 (0.47) KMT2AGAAMGLLMGAMF2
SCHEMBL426463 0.77 CHRNA7 (0.51)
SCHEMBL12593923 0.77 GPR139 (0.47) KMT2AGAAMGAMF2AMY1A
SCHEMBL444281 0.77 CHRNA7 (0.51)
SCHEMBL12593927 0.77 GPR139 (0.47) KMT2AGAAMGAMF2AMY1A
SCHEMBL12593818 0.76 ALDH1A1 (0.44) KMT2ATSHRGAAMGAMF2
Hydrochloric Acid SCHEMBL446145 0.76 CHRNA7 (0.50)
Hydrochloric Acid SCHEMBL446146 0.76 CHRNA7 (0.50)
SCHEMBL9419551 0.75 MGAM (0.58) KMT2AGAAMGLLMGAMF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017157882-A1 SERINE BIOSYNTHETIC PATHWAY INHIBITORS Université Catholique de Louvain (BE) 2017-09-21 WO disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
EP-1940807-B1 CARBAMOYLBENZOTRIAZOLE DERIVATIVES AS INHIBITORS OF LIPASES AND PHOSPHOLIPASES SANOFI SA (FR) 2015-06-17 EP disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
US-20110118321-A1 CARBAMOYLBENZOTRIAZOLE DERIVATIVES AS INHIBITORS OF LIPASES AND PHOSPHOLIPASES SANOFI-AVENTIS (FR) 2011-05-19 US disclosed
US-20110118321-A1 CARBAMOYLBENZOTRIAZOLE DERIVATIVES AS INHIBITORS OF LIPASES AND PHOSPHOLIPASES SANOFI-AVENTIS (FR) 2011-05-19 US disclosed
US-7897625-B2 Carbamoylbenzotriazole derivatives as inhibitors of lipases and phospholipases SANOFI-AVENTIS (FR) 2011-03-01 US disclosed
US-7897625-B2 Carbamoylbenzotriazole derivatives as inhibitors of lipases and phospholipases SANOFI-AVENTIS (FR) 2011-03-01 US disclosed
WO-2010074588-A2 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2010-07-01 WO disclosed
US-20080287503-A1 CARBAMOYLBENZOTRIAZOLE DERIVATIVES AS INHIBITORS OF LIPASES AND PHOSPHOLIPASES SANOFI-AVENTIS (FR) 2008-11-20 US disclosed
US-20080287503-A1 CARBAMOYLBENZOTRIAZOLE DERIVATIVES AS INHIBITORS OF LIPASES AND PHOSPHOLIPASES SANOFI-AVENTIS (FR) 2008-11-20 US disclosed
WO-2007045393-A1 CARBAMOYLBENZOTRIAZOLE DERIVATIVES AS INHIBITORS OF LIPASES AND PHOSPHOLIPASES SANOFI-AVENTIS (DE) 2007-04-26 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 (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-20080287503-A1 CARBAMOYLBENZOTRIAZOLE DERIVATIVES AS INHIBITORS OF LIPASES AND PHOSPHOLIPASES PNLIP, PLAAT2, CEL KMT2A 2200/4885MEN1 3354/4885TSHR 3110/4885
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 KMT2A 2067/4885MEN1 2893/4885TSHR 2673/4885
US-20110118321-A1 CARBAMOYLBENZOTRIAZOLE DERIVATIVES AS INHIBITORS OF LIPASES AND PHOSPHOLIPASES PNLIP, PLAAT2, CEL KMT2A 2200/4885MEN1 3354/4885TSHR 3110/4885

“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.