SCHEMBL16625577

SCHEMBL16625577

COc1cc(Nc2ncccc2/C=C/C(=O)c2ccc(N)cc2)cc(CO)c1CO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
PTPN1 P18031 1/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
KRAS P01116 1/20 0.42
CYP3A4 P08684 4/20 0.42
CYP1A2 P05177 3/20 0.41
CYP2D6 P10635 3/20 0.41
CYP1A1 P04798 2/20 0.41
CYP1B1 Q16678 2/20 0.41
MAPT P10636 4/20 0.40
ABCG2 Q9UNQ0 3/20 0.40
ABCB1 P08183 1/20 0.40
MAOB P27338 2/20 0.39
LMNA P02545 3/20 0.39
NPC1 O15118 2/20 0.39
BCHE P06276 2/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL16625545 0.93 MAOB (0.48) PTPN1CYP3A4CYP1A2CYP1A1CYP1B1
SCHEMBL16625582 0.92 ABCG2 (0.39) CTSLCTSBPTPN1CYP3A4CYP1A2
SCHEMBL16625568 0.92 MAPT (0.49) CYP3A4CYP1A2CYP2D6CYP1A1CYP1B1
SCHEMBL16625543 0.91 ABCG2 (0.48) CYP1A2CYP1A1CYP1B1MAPTABCG2
SCHEMBL16625565 0.89 ABCB1 (0.46) KRASCYP1A2CYP2D6CYP1A1CYP1B1
SCHEMBL16625573 0.89 CTSL (0.47) CTSLCTSBPTPN1CA1CA2
SCHEMBL16616244 0.86 CA1 (0.58) CTSLCTSBPTPN1CA1CA2
SCHEMBL16616238 0.86 CA1 (0.58) CTSLCTSBPTPN1CA1CA2
SCHEMBL16625544 0.86 ALDH1A1 (0.44) CYP3A4MAPTABCG2LMNANPC1
SCHEMBL16625588 0.84 ABCG2 (0.40) MAPTABCG2ABCB1LMNANPC1

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 CTSL 2829/4885CTSB 2043/4885PTPN1 2562/4885

“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.