SCHEMBL1689945

SCHEMBL1689945

O=C(c1ccnc(Cl)c1)N1CC2(CCN(CC=Cc3ccccc3)CC2)c2ccccc21

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 5/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
THRB P10828 1/20 0.40
TSHR P16473 1/20 0.40
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MCHR1 Q99705 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
SCHEMBL1689938 1.00 HDAC1 (0.49) HDAC1HDAC6SMN1; SMN2ALDH1A1HTT
SCHEMBL10253695 0.93 HDAC1 (0.45) HDAC1HDAC6SMN1; SMN2GAANPSR1
SCHEMBL4151596 0.91 HDAC1 (0.43) HDAC1HDAC6SMN1; SMN2
SCHEMBL4151601 0.91 HDAC1 (0.43) HDAC1HDAC6SMN1; SMN2
SCHEMBL13968936 0.87 NOTUM (0.42) HDAC1HDAC6SMN1; SMN2MEN1KMT2A
SCHEMBL12459707 0.86 NOTUM (0.40) HDAC1HDAC6SMN1; SMN2ALDH1A1HTT
SCHEMBL14683218 0.86 SMN1; SMN2 (0.41) HDAC1HDAC6SMN1; SMN2ALDH1A1HTT
SCHEMBL15772672 0.86 SMN1; SMN2 (0.41) HDAC1HDAC6SMN1; SMN2ALDH1A1HTT
SCHEMBL13563960 0.86 SMN1; SMN2 (0.40) HDAC1HDAC6SMN1; SMN2ALDH1A1MEN1
SCHEMBL12459808 0.85 SMN1; SMN2 (0.39) HDAC1HDAC6SMN1; SMN2ALDH1A1MEN1

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-20120010220-A1 SPIROINDOLINEPIPERIDINE DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2012-01-12 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-20120010220-A1 SPIROINDOLINEPIPERIDINE DERIVATIVES RECQL, OPRD1, SKP1 HDAC1 620/4885HDAC6 117/4885SMN1; SMN2 935/4885

“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.