SCHEMBL5013098

SCHEMBL5013098

O=C(NC(=O)N(F)Cc1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.51
TP53 P04637 1/20 0.50
HDAC8 Q9BY41 2/20 0.49
HDAC3 O15379 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
ALDH1A1 P00352 6/20 0.47
MITF O75030 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HPGD P15428 1/20 0.47
ALOX12 P18054 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
GPR55 Q9Y2T6 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL10772679 0.78 ALDH1A1 (0.52) HDAC1TP53HDAC8HDAC3HDAC7
SCHEMBL5013102 0.76 KMT2A (0.51) ALDH1A1MEN1KMT2AHPGDALOX12
SCHEMBL6398244 0.76 NPC1 (0.50) ALDH1A1MEN1KMT2ANPSR1HTT
SCHEMBL6551299 0.75 TP53 (0.56) TP53ALDH1A1MITFMEN1KMT2A
SCHEMBL4930132 0.75 HDAC1 (0.76) HDAC1HDAC8HDAC3HDAC7HDAC10
SCHEMBL76489 0.71 ALDH1A1 (0.67) HDAC1TP53HDAC8HDAC3HDAC7
SCHEMBL8074109 0.71 ALDH1A1 (0.52) HDAC1TP53HDAC8HDAC3HDAC7
SCHEMBL28743853 0.71 NPC1 (0.46) ALDH1A1MEN1KMT2ANPSR1HTT
SCHEMBL10627547 0.71 ALDH1A1 (0.52) HDAC1TP53HDAC8HDAC3HDAC7
SCHEMBL1569112 0.69 POLB (0.62) HDAC1TP53HDAC8HDAC3HDAC7

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-7468378-B2 Substituted quinoline compounds PFIZER INC. (US) 2008-12-23 US disclosed
US-7393958-B2 Triamide-substituted heterobicyclic compounds PFIZER, INC. (US) 2008-07-01 US disclosed
US-7368573-B2 Triamide-substituted heterobicyclic compounds PFIZER INC. (US) 2008-05-06 US disclosed
US-20070093525-A1 Triamide-substituted heterobicyclic compounds PFIZER INC 2007-04-26 US disclosed
US-20060223851-A1 TRIAMIDE-SUBSTITUTED HETEROBICYCLIC COMPOUNDS BERTINATO PETER 2006-10-05 US disclosed
US-20050234099-A1 Substituted quinoline compounds PFIZER INC 2005-10-20 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 (3 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-20050234099-A1 Substituted quinoline compounds APOB, APOL1, MTPN HDAC1 1975/4885TP53 3211/4885HDAC8 4334/4885
US-20060223851-A1 TRIAMIDE-SUBSTITUTED HETEROBICYCLIC COMPOUNDS APOB, MTPN, CTRB1 HDAC1 781/4885TP53 4013/4885HDAC8 2860/4885
US-20070093525-A1 Triamide-substituted heterobicyclic compounds APOB, MTPN, CTRB1 HDAC1 781/4885TP53 4013/4885HDAC8 2860/4885

“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.