SCHEMBL4582098

SCHEMBL4582098

O=C(Nc1ccccn1)c1ccc(F)cc1

nearest known ligand 0.83

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.83
NPC1 O15118 7/20 0.83
MEN1 O00255 5/20 0.71
KMT2A Q03164 5/20 0.71
F2 P00734 1/20 0.66
SMN1; SMN2 Q16637 3/20 0.61
LMNA P02545 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
KDM4E B2RXH2 1/20 0.59
DHODH Q02127 1/20 0.58
CHRNB2 P17787 1/20 0.58
CHRNB4 P30926 1/20 0.58
CHRNA3 P32297 1/20 0.58
CHRNA4 P43681 1/20 0.58
PKM P14618 3/20 0.58
USP2 O75604 1/20 0.57
TP53 P04637 1/20 0.57
ALOX15 P16050 1/20 0.56

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
SCHEMBL997866 0.86 RAB9A (0.89) RAB9ANPC1MEN1KMT2AF2
SCHEMBL29366822 0.86 RAB9A (0.89) RAB9ANPC1MEN1KMT2AF2
SCHEMBL30643226 0.85 RAB9A (0.70) RAB9ANPC1MEN1KMT2AF2
SCHEMBL16583895 0.85 RAB9A (0.86) RAB9ANPC1MEN1KMT2AF2
SCHEMBL10978860 0.85 RAB9A (0.86) RAB9ANPC1MEN1KMT2AF2
SCHEMBL5011704 0.85 RAB9A (0.86) RAB9ANPC1MEN1KMT2AF2
SCHEMBL7189774 0.84 RAB9A (0.86) RAB9ANPC1MEN1KMT2AF2
Hydrochloric Acid SCHEMBL27681799 0.84 RAB9A (0.86) RAB9ANPC1MEN1KMT2AF2
SCHEMBL18131146 0.84 RAB9A (0.78) RAB9ANPC1MEN1KMT2AF2
SCHEMBL9975858 0.83 RAB9A (0.83) RAB9ANPC1MEN1KMT2AF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-10464929-B2 Organic molecules for terahertz tagging applications COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2019-11-05 US claimed
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 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
CN-113735850-A Synthesis method of 1,2, 4-triazole compound 河南师范大学 2021-12-03 CN 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
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
CN-110272425-A Pyridine acyl octahydro pyrrolo- [3,4-c] azole derivatives and application thereof 广东东阳光药业有限公司 2019-09-24 CN 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
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
EP-1903023-A1 Method for manufacturing arylamines Archimica GmbH (DE) 2008-03-26 EP disclosed
US-20080039633-A1 Process for preparing arylamines ARCHIMICA GMBH (DE) 2008-02-14 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 (3 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 RAB9A 4203/4885NPC1 4342/4885MEN1 2255/4885
US-10464929-B2 Organic molecules for terahertz tagging applications WIZ, CRYZ, NAA15 RAB9A 4203/4885NPC1 4342/4885MEN1 2255/4885
US-20080039633-A1 Process for preparing arylamines BRD4, AHR, BRD1 RAB9A 1931/4885NPC1 2398/4885MEN1 1464/4885

“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.