SCHEMBL22454429

SCHEMBL22454429

C/N=C\c1cc(C)n(-c2ccc(Cl)cc2)c1C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.66
MAPT P10636 10/20 0.66
SMN1; SMN2 Q16637 5/20 0.66
KDM4E B2RXH2 5/20 0.66
L3MBTL1 Q9Y468 2/20 0.63
GAA P10253 3/20 0.61
ALOX12 P18054 3/20 0.61
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
TAAR1 Q96RJ0 1/20 0.56
HTT P42858 3/20 0.54
HPGD P15428 3/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
MDM2 Q00987 1/20 0.51
LMNA P02545 5/20 0.51
S1PR2 O95136 1/20 0.51
XBP1 P17861 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL18431149 1.00 ALDH1A1 (0.66) ALDH1A1MAPTSMN1; SMN2KDM4EL3MBTL1
SCHEMBL21225472 0.80 ALDH1A1 (0.62) ALDH1A1MAPTSMN1; SMN2KDM4EL3MBTL1
SCHEMBL4334391 0.77 ALDH1A1 (1.00) ALDH1A1MAPTSMN1; SMN2KDM4EL3MBTL1
SCHEMBL4334387 0.77 ALDH1A1 (1.00) ALDH1A1MAPTSMN1; SMN2KDM4EL3MBTL1
SCHEMBL2760337 0.73 POLB (0.60) ALDH1A1MAPTSMN1; SMN2KDM4EL3MBTL1
SCHEMBL15765079 0.73 NR1H4 (0.71) ALDH1A1MAPTSMN1; SMN2KDM4EL3MBTL1
SCHEMBL31380195 0.70 POLB (0.56) ALDH1A1MAPTSMN1; SMN2KDM4EL3MBTL1
SCHEMBL19298013 0.70 NOTUM (0.48) ALDH1A1MAPTSMN1; SMN2KDM4EL3MBTL1
SCHEMBL9656115 0.69 LMNA (0.62) ALDH1A1MAPTSMN1; SMN2KDM4EL3MBTL1
SCHEMBL18539184 0.68 MAPT (0.66) ALDH1A1MAPTSMN1; SMN2KDM4EL3MBTL1

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-20200299270-A1 PROTEOSTASIS REGULATORS Kineta, Inc. 2020-09-24 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-20200299270-A1 PROTEOSTASIS REGULATORS PSMG3, VCP, HSPA5 ALDH1A1 3419/4885MAPT 577/4885SMN1; SMN2 595/4885

“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.