SCHEMBL16627417

SCHEMBL16627417

CC(=O)/C=C/c1cccnc1Nc1ccc([N+](=O)[O-])cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.44
ALDH1A1 P00352 7/20 0.44
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
RAB9A P51151 3/20 0.44
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 2/20 0.44
GAA P10253 1/20 0.44
HTT P42858 3/20 0.43
LMNA P02545 3/20 0.42
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
KCNH2 Q12809 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 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
SCHEMBL16638722 0.89 ALDH1A1 (0.46) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL16627421 0.84 MEN1 (0.44) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL16627387 0.83 MAPT (0.44) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL16627411 0.83 ALDH1A1 (0.47) MAPTALDH1A1SMN1; SMN2RAB9AKDM4E
SCHEMBL16627410 0.82 ALDH1A1 (0.44) MAPTALDH1A1KMT2ASMN1; SMN2RAB9A
SCHEMBL16627419 0.82 RAB9A (0.61) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL16627424 0.81 ALDH1A1 (0.53) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL16627412 0.81 ADRA2A (0.44) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL16638390 0.73 RAB9A (0.42) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL16638724 0.72 ALDH1A1 (0.50) MAPTALDH1A1MEN1KMT2ASMN1; SMN2

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 2 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-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 MAPT 2681/4885ALDH1A1 1497/4885MEN1 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.