SCHEMBL4569181

SCHEMBL4569181

O=C(NO)c1ccc(CNC(=O)c2cnc3ccccc3c2)cc1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.71
HDAC2 Q92769 6/20 0.71
HDAC3 O15379 4/20 0.71
HDAC6 Q9UBN7 12/20 0.70
HDAC8 Q9BY41 6/20 0.68
HDAC4 P56524 4/20 0.68
HDAC7 Q8WUI4 4/20 0.68
HDAC11 Q96DB2 4/20 0.68
HDAC9 Q9UKV0 4/20 0.68
HDAC5 Q9UQL6 4/20 0.68
HDAC10 Q969S8 3/20 0.68
NAMPT P43490 1/20 0.59
HPGDS O60760 1/20 0.57
KDM1A O60341 2/20 0.56
PSMD14 O00487 1/20 0.53
COPS5 Q92905 1/20 0.53
NR1H4 Q96RI1 1/20 0.52

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
SCHEMBL24392693 0.88 HPGDS (0.70) HDAC1HDAC2HDAC3NAMPTHPGDS
SCHEMBL2230677 0.85 MGAM (0.67) HDAC1HDAC2HDAC3HDAC6HPGDS
SCHEMBL3918321 0.84 HDAC1 (0.66) HDAC1HDAC2HDAC3HDAC6HDAC8
SCHEMBL3918320 0.84 HDAC1 (0.66) HDAC1HDAC2HDAC3HDAC6HDAC8
SCHEMBL21369315 0.84 HDAC6 (0.72) HDAC1HDAC2HDAC3HDAC6HDAC8
SCHEMBL28918516 0.83 HDAC3 (1.00) HDAC1HDAC2HDAC3
SCHEMBL19616809 0.82 HDAC6 (1.00) HDAC6
SCHEMBL10207296 0.81 HDAC6 (1.00) HDAC1HDAC2HDAC3HDAC6HDAC8
SCHEMBL447481 0.81 NPC1 (0.54) HDAC1HDAC2HDAC3HDAC6HDAC8
SCHEMBL7318651 0.78 CAPN1 (0.57) HDAC1HDAC2HDAC3HDAC6NAMPT

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-20120122787-A1 METHODS FOR TREATING POLYCYSTIC KIDNEY DISEASE (PKD) OR OTHER CYST FORMING DISEASES STOWERS INSTITUTE FOR MEDICAL RESEARCH 2012-05-17 US disclosed
US-20120122787-A1 METHODS FOR TREATING POLYCYSTIC KIDNEY DISEASE (PKD) OR OTHER CYST FORMING DISEASES STOWERS INSTITUTE FOR MEDICAL RESEARCH 2012-05-17 US disclosed
WO-2011006040-A2 METHODS FOR TREATING POLYCYSTIC KIDNEY DISEASE (PKD) OR OTHER CYST FORMING DISEASES STOWERS INSTITUTE FOR MEDICAL RESEARCH (US) 2011-01-13 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-20120122787-A1 METHODS FOR TREATING POLYCYSTIC KIDNEY DISEASE (PKD) OR OTHER CYST FORMING DISEASES PKD2, PKD1, HDAC4 HDAC1 7/4885HDAC2 8/4885HDAC3 6/4885

“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.