SCHEMBL4111979

SCHEMBL4111979

O=C(O)C1Cc2ccccc2CN1C(=O)c1ccc(Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
LMNA P02545 1/20 0.55
PKM P14618 1/20 0.55
POLB P06746 4/20 0.55
CFTR P13569 4/20 0.54
ACE P12821 3/20 0.51
MMP3 P08254 3/20 0.49
MMP8 P22894 3/20 0.49
GAA P10253 2/20 0.49
MMP13 P45452 1/20 0.49
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HTR1A P08908 1/20 0.47
HTR7 P34969 1/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
APOBEC3A P31941 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46

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
SCHEMBL8495772 0.90 LMNA (0.61) TDP1L3MBTL1LMNAPKMPOLB
SCHEMBL29715382 0.86 LMNA (0.55) TDP1L3MBTL1LMNAPKMPOLB
SCHEMBL23093165 0.86 LMNA (0.55) TDP1L3MBTL1LMNAPKMPOLB
SCHEMBL29409296 0.85 CFTR (0.57) TDP1L3MBTL1LMNAPKMPOLB
SCHEMBL28560316 0.85 CFTR (0.57) TDP1L3MBTL1LMNAPKMPOLB
SCHEMBL4108015 0.84 LMNA (0.50) TDP1L3MBTL1LMNAPKMPOLB
SCHEMBL4118662 0.83 MEN1 (0.66) TDP1L3MBTL1LMNAPKMPOLB
SCHEMBL8383957 0.83 MEN1 (0.66) TDP1L3MBTL1LMNAPKMPOLB
SCHEMBL11350319 0.81 ACE (0.59) TDP1L3MBTL1LMNAPOLBACE
SCHEMBL4558064 0.80 TAS1R3 (0.60) TDP1L3MBTL1LMNAPKMPOLB

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-8410130-B2 Synthesis of 8H-3A-aza-cyclopenta [A ]indenes and 5,10-dihydropyrrolo[1,2-B]isoquinolines derivatives and their use as antitumor therapeutic agents ACADEMIA SINICA (TW) 2013-04-02 US disclosed
US-20090117125-A1 SYNTHESIS OF 8H-3A-AZA-CYCLOPENTA[A]INDENES AND 5,10-DIHYDROPYRROLO[1,2-B]ISOQUINOLINES DERIVATIVES AND THEIR USE AS ANTITUMOR THERAPEUTIC AGENTS MEMORIAL SLOAN KETTERING CANCER CENTER 2009-05-07 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-20090117125-A1 SYNTHESIS OF 8H-3A-AZA-CYCLOPENTA[A]INDENES AND 5,10-DIHYDROPYRROLO[1,2-B]ISOQUINOLINES DERIVATIVES AND THEIR USE AS ANTITUMOR THERAPEUTIC AGENTS TOP2B, TOP2A, TOP1 TDP1 264/4885L3MBTL1 2412/4885LMNA 2701/4885

“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.