SCHEMBL6468580

SCHEMBL6468580

C=C1N(C)c2ccc(NC(=O)CCl)cc2C1(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 1/20 0.50
SMN1; SMN2 Q16637 6/20 0.47
ALDH1A1 P00352 6/20 0.47
HTT P42858 5/20 0.47
LMNA P02545 1/20 0.47
KDM4E B2RXH2 2/20 0.43
HSPA9 P38646 3/20 0.40
CASP3 P42574 1/20 0.40
GSTO1 P78417 4/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4A O75164 1/20 0.40
POLB P06746 1/20 0.40
THRB P10828 1/20 0.40
RECQL P46063 1/20 0.40
MITF O75030 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
XBP1 P17861 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
SCHEMBL4603531 0.84 MAPT (0.56) SMN1; SMN2ALDH1A1HTTKDM4EHSPA9
SCHEMBL9091418 0.81 NOX1 (0.51) NOX1SMN1; SMN2ALDH1A1HTTLMNA
SCHEMBL6408351 0.80 HTT (0.42) SMN1; SMN2ALDH1A1HTTLMNAKDM4E
SCHEMBL10883262 0.75 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1HTTKDM4EHSPA9
SCHEMBL11443498 0.74 MPI (0.41) SMN1; SMN2HTTLMNAKDM4EHSPA9
SCHEMBL9735560 0.74 NR1H2 (0.45) NOX1SMN1; SMN2ALDH1A1HTTLMNA
SCHEMBL6408346 0.73 ALDH1A1 (0.42) NOX1SMN1; SMN2ALDH1A1HTTLMNA
SCHEMBL9735977 0.71 PGR (0.44) ALDH1A1HTTLMNAMEN1MAPT
SCHEMBL10882763 0.71 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1HTTKDM4EHSPA9
SCHEMBL7712511 0.70 CASP3 (0.49) SMN1; SMN2ALDH1A1HTTLMNAKDM4E

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-20050249668-A1 Nir-fluorescent cyanine dyes, their synthesis and biological use NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2005-11-10 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-20050249668-A1 Nir-fluorescent cyanine dyes, their synthesis and biological use HCCS, MTHFD1, FOLR2 NOX1 4652/4885SMN1; SMN2 4216/4885ALDH1A1 2739/4885

“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.