SCHEMBL16625580

SCHEMBL16625580

COc1cc(Nc2ncccc2/C=C/C(=O)c2cccnc2Nc2ccc(O)cc2)cc(CO)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.42
ALDH1A1 P00352 3/20 0.40
RAB9A P51151 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
NPC1 O15118 1/20 0.40
HTT P42858 1/20 0.40
MAPT P10636 4/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
NR1H4 Q96RI1 2/20 0.39
GAA P10253 1/20 0.39
MCL1 Q07820 1/20 0.39
CAPN1 P07384 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
LMNA P02545 1/20 0.38
BCHE P06276 1/20 0.38
CHRNA7 P36544 1/20 0.38
MAPK1 P28482 1/20 0.38
MAOB P27338 2/20 0.37

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
SCHEMBL16625562 0.93 MEN1 (0.41) BRAFALDH1A1RAB9ANPSR1NPC1
SCHEMBL16625560 0.93 MEN1 (0.43) BRAFALDH1A1RAB9ANPSR1NPC1
SCHEMBL16625613 0.92 DHODH (0.44) BRAFALDH1A1RAB9ANPSR1NPC1
SCHEMBL16616560 0.92 BRAF (0.47) BRAFALDH1A1RAB9ANPSR1NPC1
SCHEMBL16616559 0.92 BRAF (0.47) BRAFALDH1A1RAB9ANPSR1NPC1
SCHEMBL16625575 0.86 KRAS (0.52) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL16616612 0.86 RAB9A (0.46) ALDH1A1RAB9ANPSR1NPC1HTT
SCHEMBL16616614 0.86 RAB9A (0.46) ALDH1A1RAB9ANPSR1NPC1HTT
SCHEMBL16616589 0.85 ALDH1A1 (0.55) ALDH1A1RAB9ANPSR1NPC1HTT
SCHEMBL16616590 0.85 ALDH1A1 (0.55) ALDH1A1RAB9ANPSR1NPC1HTT

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 BRAF 208/4885ALDH1A1 1497/4885RAB9A 1415/4885

“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.