SCHEMBL13064016

SCHEMBL13064016

O=Nc1cccc2c1CCN2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.40
▸ PARP1 P09874 4/20 0.36
▸ PARP10 Q53GL7 3/20 0.36
▸ PARP11 Q9NR21 3/20 0.36
▸ CRBN Q96SW2 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ MPI P34949 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL18856522 0.80 PNMT (0.32) —
SCHEMBL24773100 0.78 NOTUM (0.35) NOTUMPARP1PARP10PARP11CRBN
SCHEMBL28228556 0.73 NOTUM (0.40) NOTUMPARP1PARP10PARP11CRBN
SCHEMBL20539302 0.73 NOTUM (0.47) NOTUMPARP1PARP10PARP11MEN1
SCHEMBL30916119 0.73 NOTUM (0.47) NOTUMPARP1PARP10PARP11MEN1
SCHEMBL16976383 0.72 HTR2C (0.48) —
SCHEMBL18856523 0.71 MAPK1 (0.40) NOTUMHPGDLMNA
SCHEMBL4782761 0.70 ALDH1A1 (0.39) NOTUMHPGDALDH1A1POLBALOX15
SCHEMBL13688477 0.70 CD44 (0.56) —
SCHEMBL256723 0.70 MAPT (0.45) MEN1HTTKMT2AALDH1A1LMNA

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-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-30 — — 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-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING RAB1A, COPB1, GOLT1B NOTUM 3395/4885PARP1 4722/4885PARP10 2936/4885

“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.

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