SCHEMBL4359389

SCHEMBL4359389

NCCn1ncc2c1-c1ccccc1C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
RXRA P19793 1/20 0.38
LMNA P02545 2/20 0.36
HSD17B10 Q99714 2/20 0.36
POLB P06746 1/20 0.36
PLK4 O00444 1/20 0.36
DAPK3 O43293 1/20 0.36
PIM1 P11309 1/20 0.36
PDGFRA P16234 1/20 0.36
LTK P29376 1/20 0.36
MAP2K2 P36507 1/20 0.36
FLT3 P36888 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
CSNK1A1 P48729 1/20 0.36
TDO2 P48775 1/20 0.36
CDK8 P49336 1/20 0.36
CDK5 Q00535 1/20 0.36

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
Ammonia Solution, Strong SCHEMBL4359394 0.79 MEN1 (0.44) HTR2CMEN1KMT2ALMNAHSD17B10
SCHEMBL19582587 0.75 HIF1A (0.47) MEN1KMT2ALMNAHSD17B10PLK4
Hydrochloric Acid SCHEMBL6196951 0.75 HTR2C (0.33) HTR2CHTR2AHTR2B
SCHEMBL4809703 0.73 MAOA (0.42) MEN1KMT2ALMNAHSD17B10PLK4
SCHEMBL5945476 0.72 DAPK3 (0.36) HTR2CMEN1KMT2ALMNAHSD17B10
Hydrochloric Acid SCHEMBL7936771 0.72 NOS3 (0.33) HTR2CHTR2AHTR2B
SCHEMBL7095283 0.71 MAOA (0.41) MEN1KMT2ALMNAHSD17B10PLK4
SCHEMBL9239604 0.71 HTR2A (0.40) HTR2CRXRALMNAMAOAHTR2A
SCHEMBL8019722 0.69 HIF1A (0.50) MEN1KMT2AHSD17B10PLK4DAPK3
Hydrochloric Acid SCHEMBL7939254 0.68 PLK4 (0.39) HTR2CLMNAHSD17B10PLK4DAPK3

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
EP-1581209-A4 NOVEL BENZOPYRAN ANALOGS AND THEIR USE FOR THE TREATMENT OF GLAUCOMA ALCON INC (CH) 2009-03-11 EP disclosed
US-7396856-B2 Benzopyran analogs and their use for the treatment of glaucoma ALCON, INC. (CH) 2008-07-08 US disclosed
EP-1581209-A2 NOVEL BENZOPYRAN ANALOGS AND THEIR USE FOR THE TREATMENT OF GLAUCOMA Alcon, Inc. (CH) 2005-10-05 EP disclosed
US-20050209314-A1 Novel benzopyran analogs and their use for the treatment of glaucoma ALCON, INC. 2005-09-22 US disclosed
US-6933392-B2 Hydroxy substituted fused naphthyl-azoles and fused indeno-azoles and their use for the treatment of glaucoma ALCON, INC. (CH) 2005-08-23 US disclosed
US-6884816-B2 Hydroxy substituted fused naphthyl-azoles and fused indeno-azoles and their use for the treatment of glaucoma ALCON, INC. (CH) 2005-04-26 US disclosed
WO-2004054572-A2 NOVEL BENZOPYRAN ANALOGS AND THEIR USE FOR THE TREATMENT OF GLAUCOMA ALCON, INC. (CH) 2004-07-01 WO disclosed
US-20030181504-A1 Hydroxy substituted fused naphthyl-azoles and fused indeno-azoles and their use for the treatment of glaucoma MAY JESSE A (US) 2003-09-25 US disclosed
US-20030181503-A1 Hydroxy substituted fused naphthyl-azoles and fused indeno-azoles and their use for the treatment of glaucoma NOVARTIS AG (CH) 2003-09-25 US disclosed
US-20030083346-A1 Hydroxy substituted fused naphthyl-azoles and fused indeno-azoles and their use for the treatment of glaucoma ALCON, INC. (CH) 2003-05-01 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 (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-20030181503-A1 Hydroxy substituted fused naphthyl-azoles and fused indeno-azoles and their use for the treatment of glaucoma CYP11B1, CYP11B2, SQLE HTR2C 2661/4885MEN1 2026/4885KMT2A 4251/4885
US-20050209314-A1 Novel benzopyran analogs and their use for the treatment of glaucoma PGC, PDE3A, PTGIS HTR2C 3277/4885MEN1 3605/4885KMT2A 4587/4885
US-20030083346-A1 Hydroxy substituted fused naphthyl-azoles and fused indeno-azoles and their use for the treatment of glaucoma CYP11B1, CYP11B2, SQLE HTR2C 2661/4885MEN1 2026/4885KMT2A 4251/4885
US-20030181504-A1 Hydroxy substituted fused naphthyl-azoles and fused indeno-azoles and their use for the treatment of glaucoma CYP11B1, CYP11B2, SQLE HTR2C 2661/4885MEN1 2026/4885KMT2A 4251/4885

“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.