SCHEMBL3071029

SCHEMBL3071029

Cc1ccc2c(N)ccnc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.61
SOS2 Q07890 1/20 0.61
HTR1A P08908 4/20 0.54
ADRA1D P25100 4/20 0.54
ADRA1A P35348 4/20 0.54
ADRA1B P35368 4/20 0.54
NCF1 P14598 1/20 0.53
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
NOS3 P29474 1/20 0.47
NOS1 P29475 1/20 0.47
NOS2 P35228 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
THRB P10828 1/20 0.46
ALOX15 P16050 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 3/20 0.46

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
SCHEMBL31452673 1.00 NR4A2 (0.61) NR4A2SOS2HTR1AADRA1DADRA1A
SCHEMBL8306581 0.84 NR4A2 (0.61) NR4A2SOS2HTR1AADRA1DADRA1A
SCHEMBL873159 0.79 HTR1A (0.58) HTR1AADRA1DADRA1AADRA1BKDM4E
SCHEMBL3073397 0.79 NR4A2 (0.66) NR4A2SOS2HTR1ANCF1KDM4E
SCHEMBL30044428 0.79 NR4A2 (0.66) NR4A2SOS2HTR1ANCF1KDM4E
SCHEMBL20427414 0.76 HTR1A (0.54) NR4A2SOS2HTR1AADRA1DADRA1A
SCHEMBL2658022 0.76 HTR1A (0.54) HTR1AADRA1DADRA1AADRA1BKDM4E
SCHEMBL317506 0.76 HTR1A (0.54) NR4A2SOS2HTR1AADRA1DADRA1A
SCHEMBL20847698 0.76 HTR1A (0.54) HTR1AADRA1DADRA1AADRA1BKDM4E
SCHEMBL5543680 0.76 HTR1A (0.54) HTR1AADRA1DADRA1AADRA1BKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017180769-A1 SMALL MOLECULES FOR IMMUNOGENIC TREATMENT OF CANCER CAPTEN THERAPEUTICS INC. (US) 2017-10-19 WO claimed
US-20240065302-A1 SWEETENER COMPOSITIONS COMPRISING MOGROSIDES AND USES THEREOF FIRMENICH INCORPORATED 2024-02-29 US disclosed
WO-2023072962-A1 SUBSTITUTED QUINOLINES AS IMPROVED NF-KB-INDUCING KINASE (NIK) INHIBITORS Yukin Therapeutics (FR) 2023-05-04 WO disclosed
US-9902737-B2 Sweet flavor modifier SENOMYX, INC. (US) 2018-02-27 US disclosed
WO-2017180769-A1 SMALL MOLECULES FOR IMMUNOGENIC TREATMENT OF CANCER CAPTEN THERAPEUTICS INC. (US) 2017-10-19 WO disclosed
EP-3188277-A1 ORGANIC LIGHT-EMITTING DEVICE Samsung Display Co., Ltd. (KR) 2017-07-05 EP disclosed
US-20160251372-A1 SWEET FLAVOR MODIFIER FIRMENICH INCORPORATED 2016-09-01 US disclosed
US-20150265711-A1 SWEET FLAVOR MODIFIER FIRMENICH INCORPORATED 2015-09-24 US disclosed
US-20150245642-A1 METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER FIRMENICH INCORPORATED 2015-09-03 US disclosed
US-9049878-B2 Sweet flavor modifier SENOMYX, INC. (US) 2015-06-09 US disclosed
US-9000054-B2 Method of improving stability of sweet enhancer and composition containing stabilized sweet enhancer SENOMYX, INC. (US) 2015-04-07 US disclosed
US-20140128481-A1 SWEET FLAVOR MODIFIER SENOMYX, INC. (US) 2014-05-08 US disclosed
US-8399447-B2 Metal triangulo compound and methods of using the same NATIONAL UNIVERSITY OF SINGAPORE (SG) 2013-03-19 US disclosed
US-20120041078-A1 METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER SENOMYX, INC. (US) 2012-02-16 US disclosed
WO-2011138666-A1 QUINOLYLPIPERAZINO SUBSTITUTED THIOLACTONE COMPOUNDS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2011-11-10 WO disclosed
US-20110245353-A1 SWEET FLAVOR MODIFIER SENOMYS, INC. (US) 2011-10-06 US disclosed
US-20100209431-A1 METAL TRIANGULO COMPOUND AND METHODS OF USING THE SAME NATIONAL UNIVERSITY OF SINGAPORE 2010-08-19 US disclosed
EP-2147005-A1 METAL TRIANGULO COMPOUND AND METHODS OF USING THE SAME National University of Singapore (SG) 2010-01-27 EP disclosed
WO-2008127197-A1 METAL TRIANGULO COMPOUND AND METHODS OF USING THE SAME NATIONAL UNIVERSITY OF SINGAPORE (SG) 2008-10-23 WO disclosed
WO-2004072101-A2 PHENYLGLYCINE DERIVATIVES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-08-26 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 (7 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-20100209431-A1 METAL TRIANGULO COMPOUND AND METHODS OF USING THE SAME CASP3, BAX, CASP7 NR4A2 2191/4885SOS2 3361/4885HTR1A 4636/4885
US-20120041078-A1 METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER TFEB, TREH, SLC2A8 NR4A2 2211/4885SOS2 868/4885HTR1A 4395/4885
US-20150245642-A1 METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER TFEB, TREH, SLC2A8 NR4A2 2211/4885SOS2 868/4885HTR1A 4395/4885
US-20110245353-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 NR4A2 3067/4885SOS2 3976/4885HTR1A 2609/4885
US-20150265711-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 NR4A2 3067/4885SOS2 3976/4885HTR1A 2609/4885
US-20140128481-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 NR4A2 3067/4885SOS2 3976/4885HTR1A 2609/4885
US-20160251372-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 NR4A2 3067/4885SOS2 3976/4885HTR1A 2609/4885

“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.