SCHEMBL16616713

SCHEMBL16616713

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.47
MAPT P10636 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NPC1 O15118 3/20 0.47
ALDH1A1 P00352 3/20 0.47
KCNH2 Q12809 1/20 0.47
GUCY1B2 O75343 1/20 0.46
GUCY1A2 P33402 1/20 0.46
GUCY1A1 Q02108 1/20 0.46
GUCY1B1 Q02153 1/20 0.46
ALK Q9UM73 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.42
RHOA P61586 1/20 0.42
HSP90AA1 P07900 1/20 0.42
NR2F2 P24468 1/20 0.42
ADAM17 P78536 1/20 0.42
DHODH Q02127 4/20 0.41
PPIF P30405 1/20 0.40
PPIA P62937 1/20 0.40

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
SCHEMBL16616715 1.00 RAB9A (0.47) RAB9AMAPTMEN1KMT2ANPC1
SCHEMBL16616286 0.93 MEN1 (0.50) RAB9AMAPTMEN1KMT2ANPC1
SCHEMBL16616288 0.93 MEN1 (0.50) RAB9AMAPTMEN1KMT2ANPC1
SCHEMBL16616470 0.91 RAB9A (0.53) RAB9AMAPTMEN1KMT2ANPC1
SCHEMBL16616472 0.91 RAB9A (0.53) RAB9AMAPTMEN1KMT2ANPC1
SCHEMBL16616271 0.91 DHODH (0.53) RAB9AMAPTMEN1KMT2ANPC1
SCHEMBL16616274 0.91 DHODH (0.53) RAB9AMAPTMEN1KMT2ANPC1
SCHEMBL16616360 0.87 DHODH (0.56) RAB9AMAPTMEN1KMT2ANPC1
SCHEMBL16616362 0.87 DHODH (0.56) RAB9AMAPTMEN1KMT2ANPC1
SCHEMBL16616675 0.85 SMN1; SMN2 (0.44) RAB9AMAPTMEN1KMT2ANPC1

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 1415/4885MAPT 2681/4885MEN1 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.