SCHEMBL10156527

SCHEMBL10156527

CCN(CC)C(=O)c1ccc(C)c(N)c1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.66
TDP1 Q9NUW8 2/20 0.59
MAPT P10636 2/20 0.59
LMNA P02545 2/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HSP90AA1 P07900 5/20 0.54
HSP90AB1 P08238 5/20 0.54
ALDH1A1 P00352 4/20 0.50
CYP1A2 P05177 1/20 0.50
BLM P54132 1/20 0.50
MLYCD O95822 1/20 0.47
TSHR P16473 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
DHFR P00374 1/20 0.43

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
SCHEMBL1638498 0.87 TDP1 (0.56) HPGDTDP1MAPTLMNAMEN1
SCHEMBL11699200 0.86 HPGD (0.66) HPGDTDP1MAPTLMNAMEN1
SCHEMBL2952990 0.86 HSP90AA1 (0.57) HPGDTDP1MAPTLMNAMEN1
SCHEMBL31621299 0.86 HSP90AA1 (0.57) HPGDTDP1MAPTLMNAMEN1
SCHEMBL471665 0.84 HPGD (0.72) HPGDTDP1MAPTLMNAMEN1
SCHEMBL11827099 0.83 HSP90AA1 (0.68) HPGDTDP1MAPTLMNAMEN1
SCHEMBL10692221 0.81 HSP90AA1 (0.64) HPGDTDP1MAPTLMNAMEN1
SCHEMBL14459958 0.81 TDP1 (0.53) HPGDTDP1MAPTLMNAMEN1
SCHEMBL18661938 0.81 HPGD (0.68) HPGDTDP1MAPTLMNAMEN1
SCHEMBL11698215 0.80 MAPT (0.66) HPGDTDP1MAPTLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8969336-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2015-03-03 US disclosed
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND WATERS TECHNOLOGIES CORPORATION (US) 2012-02-16 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-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 HPGD 4520/4885TDP1 2738/4885MAPT 3116/4885

“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.