SCHEMBL13360253

SCHEMBL13360253

Cc1[nH]c(=O)[nH]c1C(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
CA1 P00915 1/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 2/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
POLB P06746 1/20 0.32
ALOX15 P16050 1/20 0.31
NPC1 O15118 1/20 0.31
TYMP P19971 1/20 0.31
HPGD P15428 1/20 0.31
CYP3A4 P08684 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
NSD2 O96028 1/20 0.31
ABL1 P00519 1/20 0.31
IDE P14735 1/20 0.31
RIN1 Q13671 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
RAB9A P51151 1/20 0.30

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
SCHEMBL269470 0.83 HCAR2 (0.32) CA1ALDH1A1GAAKDM4EMAPT
SCHEMBL13462532 0.79 PDE3B (0.36) ALDH1A1GAAKDM4EHPGD
SCHEMBL10238804 0.70 PDE3B (0.42) LMNAALDH1A1KDM4EPOLBNPC1
SCHEMBL18933404 0.70 HCAR2 (0.34) LMNAKDM4ENPC1TYMPRAB9A
SCHEMBL18884210 0.69 KDM4E (0.50) ALDH1A1GAAKDM4EMAPTHTT
SCHEMBL13438500 0.65 DAO (0.33) ALDH1A1KDM4EABL1
SCHEMBL2891526 0.63 TYMP (0.52) LMNAALDH1A1KDM4ENPC1TYMP
SCHEMBL10350953 0.61
SCHEMBL14794894 0.61
SCHEMBL1445690 0.61 TYMP (0.56) LMNACA1ALDH1A1POLBALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023109521-A1 PARP INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF 凯复(苏州)生物医药有限公司 2023-06-22 WO disclosed
US-7718648-B2 Pyridobenzazepine compounds and methods for inhibiting mitotic progression MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-05-18 US disclosed
US-20080045501-A1 Pyridobenzazepine compounds and methods for inhibiting mitotic progression MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-02-21 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-20080045501-A1 Pyridobenzazepine compounds and methods for inhibiting mitotic progression AURKB, AURKC, AURKA LMNA 829/4885CA1 4025/4885ALDH1A1 3480/4885

“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.