SCHEMBL4597308

SCHEMBL4597308

O=Cc1ccc(Sc2ccc(C(=O)O)cc2)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
HPGD P15428 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.43
TRIM24 O15164 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39
BRAF P15056 1/20 0.38
KDR P35968 1/20 0.38
HRH3 Q9Y5N1 2/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.38
APEX1 P27695 1/20 0.38
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
PKM P14618 1/20 0.37
UNG P13051 1/20 0.37

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
SCHEMBL4598186 0.83 ALDH1A1 (0.58) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL510242 0.82 CYP11B1 (0.44) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL5572729 0.81 ALDH1A1 (0.37) ALDH1A1HPGDHSD17B10SMN1; SMN2BRAF
SCHEMBL3926634 0.81 HSD17B10 (0.50) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL580094 0.81 PARP10 (0.46) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL5576695 0.80 ALOX15 (0.42) ALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL5573750 0.80 ALDH1A1 (0.41) ALDH1A1HPGDBRAFKDRHRH3
SCHEMBL2264443 0.80 KDM4E (0.50) ALDH1A1HPGDSMN1; SMN2KDM4EPOLB
SCHEMBL25218268 0.78 ALDH1A1 (0.50) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL30474703 0.78 ALDH1A1 (0.50) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19

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
EP-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 WO 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-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 ALDH1A1 3484/4885HPGD 1736/4885CYP1A2 4327/4885

“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.