SCHEMBL16899271

SCHEMBL16899271

CCC(=O)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.60
NPC1 O15118 5/20 0.58
RAB9A P51151 5/20 0.58
POLB P06746 3/20 0.58
TDP1 Q9NUW8 1/20 0.58
MEN1 O00255 4/20 0.55
CTDSP1 Q9GZU7 1/20 0.55
MAPT P10636 6/20 0.55
LMNA P02545 4/20 0.55
ALDH1A1 P00352 3/20 0.55
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
RXFP1 Q9HBX9 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
KDR P35968 1/20 0.50

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
SCHEMBL16899268 0.85 KMT2A (0.72) KMT2ANPC1RAB9APOLBMEN1
SCHEMBL16899209 0.82 RXFP1 (0.77) KMT2ANPC1RAB9APOLBTDP1
SCHEMBL21131747 0.82 NPC1 (0.69) KMT2ANPC1RAB9APOLBTDP1
SCHEMBL16899029 0.82 KMT2A (0.75) KMT2ANPC1RAB9APOLBTDP1
SCHEMBL16899258 0.81 NPC1 (0.64) KMT2ANPC1RAB9APOLBTDP1
SCHEMBL16899211 0.81 NPC1 (0.64) KMT2ANPC1RAB9APOLBTDP1
SCHEMBL16899070 0.81 SMN1; SMN2 (0.64) KMT2ANPC1RAB9APOLBTDP1
SCHEMBL26310094 0.80 KMT2A (0.60) KMT2ANPC1RAB9APOLBMEN1
SCHEMBL4551457 0.78 SMN1; SMN2 (0.65) KMT2ANPC1RAB9APOLBTDP1
SCHEMBL26310096 0.78 MAPT (0.69) KMT2ANPC1RAB9APOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10464929-B2 Organic molecules for terahertz tagging applications COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2019-11-05 US claimed
EP-3094621-B1 USE OF N-(PYRIDIN-2-YL)-AMIDE DERIVATIVES FOR TERAHERTZ TAGGING APPLICATIONS COUNCIL SCIENT IND RES (IN) 2019-06-19 EP claimed
EP-3094621-A1 ORGANIC MOLECULES FOR TERAHERTZ TAGGING APPLICATIONS Council of Scientific & Industrial Research (IN) 2016-11-23 EP claimed
US-20160335827-A1 ORGANIC MOLECULES FOR TERAHERTZ TAGGING APPLICATIONS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-11-17 US claimed
WO-2015104722-A1 ORGANIC MOLECULES FOR TERAHERTZ TAGGING APPLICATIONS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-07-16 WO claimed
EP-3392240-B1 USE OF N-(PYRIDIN-2-YL)-AMIDE AND PHENYL-UREA DERIVATIVES FOR TERAHERTZ TAGGING APPLICATIONS COUNCIL SCIENT IND RES (IN) 2020-06-03 EP disclosed
EP-3392240-B1 USE OF N-(PYRIDIN-2-YL)-AMIDE AND PHENYL-UREA DERIVATIVES FOR TERAHERTZ TAGGING APPLICATIONS COUNCIL SCIENT IND RES (IN) 2020-06-03 EP disclosed
US-10464929-B2 Organic molecules for terahertz tagging applications COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2019-11-05 US disclosed
US-10464929-B2 Organic molecules for terahertz tagging applications COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2019-11-05 US disclosed
EP-3094621-B1 USE OF N-(PYRIDIN-2-YL)-AMIDE DERIVATIVES FOR TERAHERTZ TAGGING APPLICATIONS COUNCIL SCIENT IND RES (IN) 2019-06-19 EP disclosed
EP-3392240-A1 USE OF N-(PYRIDIN-2-YL)-AMIDE AND PHENYL-UREA DERIVATIVES FOR TERAHERTZ TAGGING APPLICATIONS Council Of Scientific & Industrial Research (IN) 2018-10-24 EP disclosed
EP-3094621-A1 ORGANIC MOLECULES FOR TERAHERTZ TAGGING APPLICATIONS Council of Scientific & Industrial Research (IN) 2016-11-23 EP disclosed
US-20160335827-A1 ORGANIC MOLECULES FOR TERAHERTZ TAGGING APPLICATIONS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-11-17 US disclosed
US-20160335827-A1 ORGANIC MOLECULES FOR TERAHERTZ TAGGING APPLICATIONS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-11-17 US disclosed
US-20160335827-A1 ORGANIC MOLECULES FOR TERAHERTZ TAGGING APPLICATIONS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-11-17 US disclosed
WO-2015104722-A1 ORGANIC MOLECULES FOR TERAHERTZ TAGGING APPLICATIONS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-07-16 WO disclosed
WO-2015104722-A1 ORGANIC MOLECULES FOR TERAHERTZ TAGGING APPLICATIONS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-07-16 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 (2 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-20160335827-A1 ORGANIC MOLECULES FOR TERAHERTZ TAGGING APPLICATIONS WIZ, CRYZ, NAA15 KMT2A 1560/4885NPC1 4342/4885RAB9A 4203/4885
US-10464929-B2 Organic molecules for terahertz tagging applications WIZ, CRYZ, NAA15 KMT2A 1560/4885NPC1 4342/4885RAB9A 4203/4885

“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.