SCHEMBL5886323

SCHEMBL5886323

CC(=O)Nc1cccc2c1ccc1nc3cccc(C(=O)O)c3nc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
KMT2A Q03164 7/20 0.49
MEN1 O00255 4/20 0.49
MAPT P10636 5/20 0.44
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CASP6 P55212 1/20 0.42
KDM4E B2RXH2 4/20 0.42
PDE10A Q9Y233 1/20 0.42
HPGD P15428 1/20 0.42
POLB P06746 3/20 0.41
KDM1A O60341 1/20 0.41
MITF O75030 1/20 0.41
LMNA P02545 1/20 0.41
RAD52 P43351 1/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL5886384 0.84 ALDH1A1 (0.50) ALDH1A1KMT2AMAPTCYP2C19CYP1A2
SCHEMBL5886347 0.81 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1MAPTCYP2C19
SCHEMBL5886502 0.81 KDM4E (0.52) ALDH1A1KMT2AMEN1MAPTCYP1A2
SCHEMBL5886249 0.80 ALDH1A1 (0.58) ALDH1A1MAPTCYP2C19CYP1A2CYP2C9
SCHEMBL5886308 0.80 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL5886240 0.79 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1MAPTCYP1A2
SCHEMBL8745109 0.78 POLB (0.54) ALDH1A1KMT2AMEN1MAPTCYP2C19
SCHEMBL5886290 0.78 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL5886397 0.78 ALDH1A1 (0.58) ALDH1A1KDM4EPDE10AHPGDLMNA
SCHEMBL5886331 0.78 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7132419-B2 Pharmaceutical compounds XENOVA LIMITED (GB) 2006-11-07 US claimed
US-20050143383-A1 Pharmaceutical compounds XENOVA LIMITED (GB) 2005-06-30 US claimed
US-20030139409-A1 Benzo[A] [phenazin-11-carboxamide derivatives and their use as joint inhibitors of topomerase I and II XENOVA LIMITED (GB) 2003-07-24 US claimed
US-7132419-B2 Pharmaceutical compounds XENOVA LIMITED (GB) 2006-11-07 US disclosed
US-20050143383-A1 Pharmaceutical compounds XENOVA LIMITED (GB) 2005-06-30 US disclosed
US-20030139409-A1 Benzo[A] [phenazin-11-carboxamide derivatives and their use as joint inhibitors of topomerase I and II XENOVA LIMITED (GB) 2003-07-24 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 (2 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-20050143383-A1 Pharmaceutical compounds CHRNA10, OPRM1, SCN10A ALDH1A1 3766/4885KMT2A 3473/4885MEN1 2842/4885
US-20030139409-A1 Benzo[A] [phenazin-11-carboxamide derivatives and their use as joint inhibitors of topomerase I and II TOP1, TOP2A, TOP2B ALDH1A1 2334/4885KMT2A 2184/4885MEN1 4285/4885

“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.