SCHEMBL16616470

SCHEMBL16616470

O=C(/C=C/c1cccnc1Nc1ccc(Cl)cc1)c1cccnc1Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
DHODH Q02127 3/20 0.53
NPC1 O15118 4/20 0.46
MAPT P10636 4/20 0.46
ALDH1A1 P00352 3/20 0.46
KCNH2 Q12809 1/20 0.46
MAOB P27338 3/20 0.44
MAOA P21397 1/20 0.44
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
EGFR P00533 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
SNCA P37840 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
RHOA P61586 1/20 0.39
AHR P35869 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL16616472 1.00 RAB9A (0.53) RAB9ASMN1; SMN2MEN1KMT2ADHODH
SCHEMBL16616288 0.92 MEN1 (0.50) RAB9ASMN1; SMN2MEN1KMT2ADHODH
SCHEMBL16616286 0.92 MEN1 (0.50) RAB9ASMN1; SMN2MEN1KMT2ADHODH
SCHEMBL16616675 0.92 SMN1; SMN2 (0.44) RAB9ASMN1; SMN2MEN1KMT2ADHODH
SCHEMBL16616672 0.92 SMN1; SMN2 (0.44) RAB9ASMN1; SMN2MEN1KMT2ADHODH
SCHEMBL16616715 0.91 RAB9A (0.47) RAB9ASMN1; SMN2MEN1KMT2ADHODH
SCHEMBL16616713 0.91 RAB9A (0.47) RAB9ASMN1; SMN2MEN1KMT2ADHODH
SCHEMBL16616821 0.91 MAOB (0.56) RAB9ASMN1; SMN2MEN1KMT2ADHODH
SCHEMBL16616819 0.91 MAOB (0.56) RAB9ASMN1; SMN2MEN1KMT2ADHODH
SCHEMBL16616271 0.90 DHODH (0.53) RAB9ASMN1; SMN2MEN1KMT2ADHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9006451-B1 2-anilinonicotinyl based chalcones useful as potential anticancer agents and process for preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-04-14 US disclosed
US-9006451-B1 2-anilinonicotinyl based chalcones useful as potential anticancer agents and process for preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-04-14 US disclosed
US-9006451-B1 2-anilinonicotinyl based chalcones useful as potential anticancer agents and process for preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-04-14 US disclosed
US-20150099888-A1 2-Anilinonicotinyl Based Chalcones Useful As Potential Anticancer Agents and Process for Preparation Thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-04-09 US disclosed
US-20150099888-A1 2-Anilinonicotinyl Based Chalcones Useful As Potential Anticancer Agents and Process for Preparation Thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-04-09 US disclosed
US-20150099888-A1 2-Anilinonicotinyl Based Chalcones Useful As Potential Anticancer Agents and Process for Preparation Thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-04-09 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 (1 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-20150099888-A1 2-Anilinonicotinyl Based Chalcones Useful As Potential Anticancer Agents and Process for Preparation Thereof HCCS, WEE2, WEE1 RAB9A 1415/4885SMN1; SMN2 4456/4885MEN1 2511/4885

“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.