SCHEMBL16644172

SCHEMBL16644172

CSCc1nc2cc(C)ccc2nc1CS

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.46
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPT P10636 5/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP1A2 P05177 2/20 0.38
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KMT2A Q03164 4/20 0.34
MEN1 O00255 2/20 0.34
NPC1 O15118 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
POLB P06746 2/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
PKM P14618 1/20 0.33
NCK1 P16333 1/20 0.32

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
SCHEMBL16644141 0.92 NQO2 (0.53) NQO2KDM4EALDH1A1L3MBTL1MAPT
SCHEMBL24584368 0.88 NQO2 (0.57) NQO2KDM4EALDH1A1L3MBTL1MAPT
SCHEMBL24115639 0.83 NQO2 (0.44) NQO2KDM4EALDH1A1L3MBTL1MAPT
SCHEMBL23739009 0.81 NQO2 (0.43) NQO2KDM4EALDH1A1L3MBTL1MAPT
SCHEMBL20880273 0.81 NQO2 (0.43) NQO2KDM4EALDH1A1L3MBTL1MAPT
SCHEMBL24115643 0.80 NQO2 (0.42) NQO2KDM4EALDH1A1L3MBTL1MAPT
SCHEMBL24115709 0.79 NQO2 (0.49) NQO2KDM4EALDH1A1L3MBTL1MAPT
SCHEMBL16730658 0.78 MAPT (0.49) ALDH1A1MAPTTDP1RAB9AKMT2A
SCHEMBL19432353 0.75 NQO2 (0.59) NQO2KDM4EALDH1A1L3MBTL1MAPT
SCHEMBL21308099 0.71 NQO2 (0.59) NQO2KDM4EALDH1A1L3MBTL1MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150105540-A1 DRUG-CONJUGATES WITH A TARGETING MOLECULE AND TWO DIFFERENT DRUGS SORRENTO THERAPEUTICS INC. (US) 2015-04-16 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-20150105540-A1 DRUG-CONJUGATES WITH A TARGETING MOLECULE AND TWO DIFFERENT DRUGS ERBB2, ABCG2, DYNLL2 NQO2 1210/4885KDM4E 1682/4885ALDH1A1 1088/4885

“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.