SCHEMBL487318

SCHEMBL487318

CCCc1ccnc(C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UHRF1 Q96T88 1/20 0.48
KCNQ2 O43526 1/20 0.42
NOS2 P35228 2/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
GRM5 P41594 1/20 0.38
FFAR1 O14842 1/20 0.37
DYRK1A Q13627 1/20 0.36
GSK3A P49840 2/20 0.35
GSK3B P49841 2/20 0.35
TLR8 Q9NR97 1/20 0.35
NR3C2 P08235 2/20 0.35
FLT1 P17948 1/20 0.34
KDR P35968 1/20 0.34

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
SCHEMBL4355540 0.89 UHRF1 (0.54) UHRF1KCNQ2NOS2NOS3NOS1
SCHEMBL9402852 0.88 SKP2 (0.47) UHRF1KCNQ2NOS2NOS3NOS1
Bromide SCHEMBL5762760 0.86 SKP2 (0.46) UHRF1KCNQ2NOS2NOS3NOS1
SCHEMBL4358691 0.84 UHRF1 (0.50) UHRF1KCNQ2NOS2NOS3NOS1
SCHEMBL28131466 0.84 TDP1 (0.44) UHRF1KDM4ELMNACYP3A4
SCHEMBL21524074 0.84 TDP1 (0.44) UHRF1KDM4ELMNACYP3A4
SCHEMBL29371239 0.82
SCHEMBL212981 0.82
SCHEMBL14197629 0.81 SIGMAR1 (0.42) UHRF1KCNQ2NOS2NOS3NOS1
SCHEMBL2023682 0.81 UHRF1 (0.46) UHRF1KCNQ2NOS2NOS3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9328126-B2 Norbornenylhydrocarbylene dihydrocarbylboranes and methods of making the same PROMERUS, LLC (US) 2016-05-03 US claimed
US-20150353582-A1 NORBORNENYLHYDROCARBYLENE DIHYDROCARBYLBORANES AND METHODS OF MAKING THE SAME PROMERUS, LLC (US) 2015-12-10 US claimed
WO-2014121008-A1 NORBORNENYLHYDROCARBYLENE DIHYDROCARBYLBORANES AND METHODS OF MAKING THE SAME PROMERUS, LLC (US) 2014-08-07 WO claimed
US-8106200-B2 Pyridine borane complexes BASF SE (DE) 2012-01-31 US claimed
US-20110207934-A1 PYRIDINE BORANE COMPLEXES BASF SE (DE) 2011-08-25 US claimed
EP-2066631-B1 PYRIDINE BORANE COMPLEXES BASF SE (DE) 2011-04-06 EP claimed
WO-2023150203-A1 HDAC6 INHIBITORS AND USES THEREOF EIKONIZO THERAPEUTICS, INC. (US) 2023-08-10 WO disclosed
WO-2022266285-A1 TREATMENT OF SYMPTOMS ASSOCIATED WITH MYELOPROLIFERATIVE NEOPLASMS TELIOS PHARMA INC. (US) 2022-12-22 WO disclosed
WO-2022125736-A1 A TAUTOMERIC LIGAND ENABLES BIOMIMETIC C-H HYDROXYLATION WITH MOLECULAR OXYGEN THE SCRIPPS RESEARCH INSTITUTE (US) 2022-06-16 WO disclosed
EP-3402799-B1 HETEROCYCLIC COMPOUNDS AS RSV INHIBITORS ENANTA PHARM INC (US) 2022-05-04 EP disclosed
US-11198673-B2 Therapeutic compounds and compositions EXITHERA PHARMACEUTICALS, INC. (US) 2021-12-14 US disclosed
US-20210346353-A1 CD73 INHIBITORS ARCUS BIOSCIENCES, INC. 2021-11-11 US disclosed
WO-2018128720-A1 URACIL CONTAINING COMPOUNDS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-07-12 WO disclosed
EP-1024402-B1 Silver halide photographic light-sensitive material and image forming method FUJI PHOTO FILM CO LTD (JP) 2007-01-24 EP disclosed
US-6329119-B1 ALKALI SOLUBLE RESIN, ACID GENERATOR, CROSSLINKING AGENT, AND A BASIC COMPOUND THAT IS EITHER A DIPYRIDYL COMPOUND OR A BISAMINOBENZENE COMPOUND; EXCELLENT PATTERN PROFILE, SMALL TEMPERATURE DEPENDENCY OF THE PATTERN DIMENSIONS, SENSITIVITY SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-12-11 US disclosed
US-4871848-A OIL, GAS WELLS CORROSION INHIBITORS THE DOW CHEMICAL COMPANY (US) 1989-10-03 US disclosed
US-4740320-A REACTION OF NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPONENT, KETONE OR ALDEHYDE, AMINE OR POLYAMINE THE DOW CHEMICAL COMPANY (US) 1988-04-26 US disclosed
US-4725373-A CORROSION RESISTANCE FOR METAL TOOLS AND EQUIPMENT USED IN OIL AND GAS WELLS THE DOW CHEMICAL COMPANY (US) 1988-02-16 US disclosed
US-4724003-A Asphalt compositions containing anti-stripping additives prepared from hydrocarbyl substituted nitrogen-containing aromatic heterocyclic compounds, aldehydes or ketones and amines THE DOW CHEMICAL COMPANY (US) 1988-02-09 US disclosed
US-4676834-A Novel compositions prepared from methyl substituted nitrogen-containing aromatic heterocyclic compounds and an aldehyde or ketone THE DOW CHEMICAL COMPANY (US) 1987-06-30 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-20150353582-A1 NORBORNENYLHYDROCARBYLENE DIHYDROCARBYLBORANES AND METHODS OF MAKING THE SAME CYP8B1, BDKRB1, CYP1B1 UHRF1 1630/4885KCNQ2 3079/4885NOS2 1186/4885
US-11198673-B2 Therapeutic compounds and compositions KLK5, KLKB1, KLK2 UHRF1 2829/4885KCNQ2 391/4885NOS2 3481/4885
US-20210346353-A1 CD73 INHIBITORS ENTPD5, ENTPD1, NT5E UHRF1 3417/4885KCNQ2 3410/4885NOS2 1536/4885
US-20110207934-A1 PYRIDINE BORANE COMPLEXES NBAS, BRD8, PAXBP1 UHRF1 4406/4885KCNQ2 1588/4885NOS2 3775/4885

“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.