SCHEMBL17229248

SCHEMBL17229248

O=C(CCCCCNC(O)(O)c1ccc(Br)cc1)NCc1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.56
POLB P06746 2/20 0.52
CTDSP1 Q9GZU7 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
HDAC3 O15379 5/20 0.51
HDAC1 Q13547 5/20 0.51
HDAC2 Q92769 5/20 0.51
HDAC8 Q9BY41 5/20 0.51
HPGD P15428 1/20 0.51
ALDH1A1 P00352 1/20 0.50
HDAC6 Q9UBN7 9/20 0.49
HDAC10 Q969S8 4/20 0.49
HDAC11 Q96DB2 4/20 0.49
HTT P42858 1/20 0.47
HDAC4 P56524 3/20 0.45
HDAC7 Q8WUI4 3/20 0.45
HDAC9 Q9UKV0 3/20 0.45
HDAC5 Q9UQL6 3/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 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
SCHEMBL15678787 0.91 POLB (0.56) LMNAPOLBCTDSP1TDP1HPGD
SCHEMBL13401925 0.88 MEN1 (0.59) POLBHDAC3HDAC1HDAC2HDAC8
SCHEMBL13401920 0.84 TRPV1 (0.51) LMNAHDAC3HDAC1HDAC2HDAC8
SCHEMBL13401936 0.79 RAB9A (0.53) LMNAPOLBHPGDALDH1A1HDAC6
SCHEMBL15678788 0.79 KMT2A (0.59) LMNAPOLBTDP1HDAC3HDAC1
SCHEMBL13401910 0.79 KMT2A (0.55) POLBHDAC3HDAC1HDAC2HDAC8
SCHEMBL17229247 0.78 L3MBTL1 (0.56) LMNAPOLBHDAC3HDAC1HDAC2
SCHEMBL13401913 0.78 SMN1; SMN2 (0.49) HDAC3HDAC1HDAC2HDAC8HPGD
SCHEMBL13401909 0.77 ALDH1A1 (0.65) LMNAPOLBCTDSP1TDP1HDAC3
SCHEMBL19334329 0.75 LMNA (0.71) LMNAPOLBHDAC3HDAC1HDAC2

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-9757375-B2 Compounds that inhibit human DNA ligases and methods of treating cancer UNIVERSITY OF MARYLAND, BALTIMORE (US) 2017-09-12 US disclosed
US-20150313898-A1 COMPOUNDS THAT INHIBIT HUMAN DNA LIGASES AND METHODS OF TREATING CANCER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-11-05 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-20150313898-A1 COMPOUNDS THAT INHIBIT HUMAN DNA LIGASES AND METHODS OF TREATING CANCER LIG1, LIG4, LIG3 LMNA 785/4885POLB 17/4885CTDSP1 104/4885

“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.