SCHEMBL6328173

SCHEMBL6328173

O=C(CCc1nc(-c2ccc3c(c2)CCO3)no1)NCC(O)CNc1n[nH]c(=O)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 3/20 0.40
TSHR P16473 5/20 0.39
MAPT P10636 4/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 3/20 0.38
USP2 O75604 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
POLB P06746 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PARP1 P09874 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL6325758 0.90 KMT2A (0.45) ALDH1A1GAAKMT2ATSHRMAPT
SCHEMBL6327152 0.88 KMT2A (0.44) ALDH1A1GAAKMT2ATSHRMAPT
SCHEMBL5076377 0.88 KMT2A (0.44) ALDH1A1GAAKMT2ATSHRMAPT
SCHEMBL6332748 0.88 KMT2A (0.41) ALDH1A1GAAKMT2ATSHRMAPT
SCHEMBL6326152 0.85 SMN1; SMN2 (0.46) ALDH1A1GAAKMT2ATSHRHPGD
SCHEMBL6327197 0.85 SMN1; SMN2 (0.46) ALDH1A1GAAKMT2ATSHRHPGD
SCHEMBL5077241 0.84 GAA (0.50) ALDH1A1GAAKMT2ATSHRMAPT
SCHEMBL6322989 0.84 SMN1; SMN2 (0.42) ALDH1A1GAAKMT2ATSHRMAPT
SCHEMBL5074069 0.84 ALDH1A1 (0.50) ALDH1A1GAAKMT2ATSHRMAPT
SCHEMBL6324279 0.82 LMNA (0.53) ALDH1A1GAAKMT2ATSHRMAPT

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-6924284-B2 PARP inhibitors ICOS CORPORATION (US) 2005-08-02 US disclosed
US-20040087588-A1 Parp inhibitors ICOS CORPORATION 2004-05-06 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-20040087588-A1 Parp inhibitors PARP1, PARP2, PARP11 ALDH1A1 338/4885GAA 2424/4885KMT2A 152/4885

“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.