SCHEMBL16627419

SCHEMBL16627419

CC(=O)/C=C/c1cccnc1Nc1ccc(Cl)cc1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
ALDH1A1 P00352 3/20 0.61
HPGD P15428 2/20 0.61
NPC1 O15118 4/20 0.43
LMNA P02545 2/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
GRM5 P41594 1/20 0.41
THRB P10828 1/20 0.40
GRM4 Q14833 1/20 0.39
MAPK1 P28482 1/20 0.39
EGFR P00533 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
DHODH Q02127 1/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38

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
SCHEMBL16638723 0.88 RAB9A (0.67) RAB9ASMN1; SMN2ALDH1A1HPGDNPC1
SCHEMBL16627411 0.87 ALDH1A1 (0.47) RAB9ASMN1; SMN2ALDH1A1HPGDNPC1
SCHEMBL16627410 0.86 ALDH1A1 (0.44) RAB9ASMN1; SMN2ALDH1A1HPGDNPC1
SCHEMBL16627412 0.84 ADRA2A (0.44) RAB9ASMN1; SMN2ALDH1A1HPGDNPC1
SCHEMBL16627413 0.83 RAB9A (0.62) RAB9ASMN1; SMN2ALDH1A1HPGDNPC1
SCHEMBL16627417 0.82 MAPT (0.44) RAB9ASMN1; SMN2ALDH1A1HPGDNPC1
SCHEMBL16627386 0.82 RAB9A (0.56) RAB9ASMN1; SMN2ALDH1A1NPC1LMNA
SCHEMBL16627414 0.79 RAB9A (0.79) RAB9ASMN1; SMN2ALDH1A1HPGDNPC1
SCHEMBL16616606 0.76 GRM5 (0.53) RAB9ASMN1; SMN2ALDH1A1HPGDNPC1
SCHEMBL16616605 0.76 GRM5 (0.53) RAB9ASMN1; SMN2ALDH1A1HPGDNPC1

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 RAB9A 1415/4885SMN1; SMN2 4456/4885ALDH1A1 1497/4885

“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.