SCHEMBL4153802

SCHEMBL4153802

O=C(O)CCCNC(=O)c1c[nH]c2c(=O)[nH]c3ccccc3c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.47
HDAC1 Q13547 3/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC3 O15379 2/20 0.47
HDAC4 P56524 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
MAPK8 P45983 1/20 0.45
ADAM17 P78536 1/20 0.44
USP2 O75604 1/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
RAB9A P51151 3/20 0.43
PPARA Q07869 1/20 0.43
POLB P06746 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
SCHEMBL3250282 0.93 ADAM17 (0.46) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL3241767 0.89 ALDH1A1 (0.51) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL4761696 0.86 KDM4E (0.48) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL3248405 0.85 KDM4E (0.54) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL14624976 0.84 RAB9A (0.44) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL3252625 0.84 KDM4E (0.58) ALDH1A1KDM4ERAB9APOLBMEN1
SCHEMBL3249528 0.83 SMN1; SMN2 (0.43) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL3245362 0.82 PARP1 (0.50) USP2ALDH1A1KDM4ERAB9APOLB
SCHEMBL14624983 0.82 ALDH1A1 (0.41) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL3241785 0.81 MEN1 (0.63) RAB9APOLBMEN1KMT2ANPC1

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
US-20090042876-A1 Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors PIERRE FABRE MEDICAMENT (FR) 2009-02-12 US claimed
US-8426437-B2 Pyrroloquinoline derivatives and their use as protein kinases inhibitors PIERRE FABRE MEDICAMENT (FR) 2013-04-23 US disclosed
US-20090042876-A1 Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors PIERRE FABRE MEDICAMENT (FR) 2009-02-12 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-20090042876-A1 Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors MAP3K1, MAP3K2, MAP3K7 PPARG 1568/4885HDAC1 863/4885HDAC2 1049/4885

“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.