SCHEMBL660544

SCHEMBL660544

OC(c1ncc[nH]1)(c1ncc[nH]1)c1ncc[nH]1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.62
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
FDPS P14324 2/20 0.38
NISCH Q9Y2I1 2/20 0.33
MTOR P42345 1/20 0.33
ADK P55263 1/20 0.33
KDM4E B2RXH2 1/20 0.31
ALOX15 P16050 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
TAAR1 Q96RJ0 1/20 0.30

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
SCHEMBL7076777 0.82 FDPS (0.51) CYP19A1FDPSALOX15TAAR1
SCHEMBL6090949 0.81 CYP19A1 (0.64) CYP19A1SMN1; SMN2NISCHMTORADK
SCHEMBL3403575 0.80
SCHEMBL11535106 0.78 CYP19A1 (0.70) CYP19A1RAB9A
SCHEMBL11531968 0.78 CYP19A1 (1.00) CYP19A1
SCHEMBL11533235 0.78 CYP19A1 (0.70) CYP19A1RAB9A
SCHEMBL11540370 0.78 CYP19A1 (0.70) CYP19A1ALDH1A1SMN1; SMN2NISCHKDM4E
Hydrochloric Acid SCHEMBL11532663 0.77 CYP19A1 (0.68) CYP19A1NISCHRAB9ATAAR1
SCHEMBL27536537 0.76
SCHEMBL8752315 0.75 CYP19A1 (0.49) CYP19A1ALDH1A1SMN1; SMN2FDPSKDM4E

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150031600-A1 DESIGNED BIOSURFACTANTS, THEIR MANUFACTURE, PURIFICATION AND USE THE UNIVERSITY OF QUEENSLAND (AU) 2015-01-29 US disclosed
EP-1858914-B1 PEPTIDE NETWORKS UNIV QUEENSLAND (AU) 2013-12-04 EP disclosed
US-20130085188-A1 PEPTIDE NETWORKS THE UNIVERSITY OF QUEENSLAND (AU) 2013-04-04 US disclosed
WO-2012079125-A1 DESIGNED BIOSURFACTANTS, THEIR MANUFACTURE, PURIFICATION AND USE THE UNIVERSITY OF QUEENSLAND (AU) 2012-06-21 WO disclosed
US-20120046444-A1 PEPTIDE NETWORKS THE UNIVERSITY OF QUEENSLAND (AU) 2012-02-23 US disclosed
US-8039582-B2 Peptide networks THE UNIVERSITY OF QUEENSLAND (AU) 2011-10-18 US disclosed
US-7833331-B2 Non-toxic corrosion-protection pigments based on cobalt UNIVERSITY OF DAYTON (US) 2010-11-16 US disclosed
US-7789958-B2 Non-toxic corrosion-protection pigments based on manganese UNIVERSITY OF DAYTON (US) 2010-09-07 US disclosed
US-20100152420-A1 PEPTIDE NETWORKS THE UNIVERSITY OF QUEENSLAND (AU) 2010-06-17 US disclosed
US-20090163628-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON COBALT STURGILL JEFFREY ALLEN 2009-06-25 US disclosed
US-20030234063-A1 Non-toxic corrosion-protection conversion coats based on cobalt DAYTON, UNIVERSITY OF 2003-12-25 US disclosed
US-20030230363-A1 Non-toxic corrosion-protection rinses and seals based on cobalt UNIVERSITY OF DAYTON 2003-12-18 US disclosed
WO-2003060192-A1 NON-TOXIC CORROSION-PROTECTION RINSES AND SEALS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060019-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
US-5646296-A POLYMERIZABLE BIS-IMIDAZOLYL COMPOUNDS; WATER TREATMENT RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1997-07-08 US disclosed
US-5637728-A BIS-IMIDAZOLYL COMPOUNDS OR POLYMERIZABLE MONOMER; CHELATING AGENT, CURING AGENT; CORROSION RESISTANCE, PROTECTIVE COATINGS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1997-06-10 US disclosed
US-5605994-A POLYMERS CONTAINING BIS-IMIDAZOLYL UNITS; METAL SCAVENGERS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1997-02-25 US disclosed
EP-0723543-A1 METAL ION BINDING MONOMER AND POLYMER RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1996-07-31 EP disclosed
US-5455359-A For chelation of heavy metals in waste water treatment RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1995-10-03 US disclosed
WO-1995009854-A1 METAL ION BINDING MONOMER AND POLYMER RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1995-04-13 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 (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-20120046444-A1 PEPTIDE NETWORKS IAPP, MSN, FGB CYP19A1 4254/4885ALDH1A1 4859/4885SMN1; SMN2 3462/4885
US-20130085188-A1 PEPTIDE NETWORKS IAPP, MSN, FGB CYP19A1 4254/4885ALDH1A1 4859/4885SMN1; SMN2 3462/4885
US-20150031600-A1 DESIGNED BIOSURFACTANTS, THEIR MANUFACTURE, PURIFICATION AND USE PNISR, ASNS, ARGLU1 CYP19A1 2209/4885ALDH1A1 4842/4885SMN1; SMN2 4205/4885
US-20100152420-A1 PEPTIDE NETWORKS IAPP, MSN, FGB CYP19A1 4254/4885ALDH1A1 4859/4885SMN1; SMN2 3462/4885

“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.