SCHEMBL4501131

SCHEMBL4501131

CNC(=O)c1cc(N)c2ccccc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.51
BRD4 O60885 6/20 0.47
ACHE P22303 1/20 0.46
ALDH1A1 P00352 2/20 0.44
ALOX15 P16050 1/20 0.44
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TP53 P04637 2/20 0.43
HSD17B10 Q99714 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL7076598 0.83 NCF1 (0.46) NCF1ACHEALDH1A1MAPTKMT2A
Hydrochloric Acid SCHEMBL6765144 0.82 NCF1 (0.45) NCF1ACHEMAPTKMT2APOLB
SCHEMBL1314146 0.82 ALOX15 (0.58) NCF1ACHEALDH1A1ALOX15MAPT
SCHEMBL16832577 0.81 KDM4E (0.54) ALOX15KMT2APOLBL3MBTL1KDM4E
SCHEMBL28100440 0.81 BRD4 (0.47) BRD4ALDH1A1ALOX15MAPTKMT2A
SCHEMBL1315731 0.81 KDM4E (0.52) NCF1ACHEALDH1A1ALOX15MAPT
SCHEMBL4822253 0.81 BRD4 (0.47) BRD4ALDH1A1MAPTKMT2APOLB
SCHEMBL13035843 0.79 ALOX15 (0.73) ALOX15LMNAHPGDPLK1
SCHEMBL12472848 0.78 NCF1 (0.51) NCF1ACHEALDH1A1ALOX15KMT2A
SCHEMBL16832233 0.78 KDM4E (0.63) ALDH1A1ALOX15MAPTKMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252814-B2 Agents and crystals for improving excretory potency of urinary bladder TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-28 US disclosed
US-20090264467-A1 Agents and crystals for improving excretory potency of urinary bladder ISHIHARA YUJI 2009-10-22 US disclosed
EP-1891954-A2 Acetylcholinesterase inhibitors for improving excretory potency of urinary bladder Takeda Pharmaceutical Company Limited (JP) 2008-02-27 EP disclosed
US-20070021391-A1 Preventive/remedy for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-25 US disclosed
US-20060281725-A1 Agents and crystals for improving excretory potency of urinary bladder ISIHARA YUJI 2006-12-14 US disclosed
EP-1640021-A1 PREVENTIVE/REMEDY FOR URINARY DISTURBANCE Takeda Pharmaceutical Company Limited (JP) 2006-03-29 EP disclosed
EP-1604653-A1 Acetylcholinesterase inhibitors for improving excretory potency of urinary bladder Takeda Pharmaceutical Company Limited (JP) 2005-12-14 EP disclosed
US-20040116457-A1 Agents for improving excretory potency of urinary bladder TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-06-17 US disclosed
US-20020177593-A1 Agents and crystals for improving excretory potency of urinary bladder TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2002-11-28 US disclosed
EP-1118322-A1 DRUGS FOR IMPROVING VESICAL EXCRETORY STRENGTH Takeda Chemical Industries, Ltd. (JP) 2001-07-25 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 (4 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-20070021391-A1 Preventive/remedy for urinary disturbance ACHE, BCHE, CHAT NCF1 2095/4885BRD4 2405/4885ACHE 1/4885
US-20090264467-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A NCF1 1412/4885BRD4 336/4885ACHE 1/4885
US-20020177593-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BPHL, BCHE NCF1 1452/4885BRD4 308/4885ACHE 1/4885
US-20060281725-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A NCF1 1376/4885BRD4 286/4885ACHE 1/4885

“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.