SCHEMBL14478795

SCHEMBL14478795

O=c1c2ccc(Cl)cc2ncn1Cc1ccc(F)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.65
HDAC6 Q9UBN7 2/20 0.57
HDAC3 O15379 1/20 0.57
HDAC4 P56524 1/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC2 Q92769 1/20 0.57
HDAC10 Q969S8 1/20 0.57
HDAC11 Q96DB2 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC9 Q9UKV0 1/20 0.57
HDAC5 Q9UQL6 1/20 0.57
GAA P10253 1/20 0.53
PKM P14618 1/20 0.53
HPGD P15428 1/20 0.53
MMP13 P45452 2/20 0.53
MAPT P10636 1/20 0.52
THRB P10828 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 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
SCHEMBL5312149 0.82 HDAC3 (0.61) PDE5AHDAC6HDAC3HDAC4HDAC1
SCHEMBL2312467 0.81 MMP13 (0.64) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL2318142 0.81 PDE5A (0.59) PDE5AHDAC6HDAC3HDAC4HDAC1
SCHEMBL2619417 0.79 HDAC6 (0.64) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL6302269 0.77 MMP13 (0.60) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL2312920 0.77 MMP13 (0.60) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL5532025 0.77 RAB9A (0.65) HDAC1MAPTHTTSMN1; SMN2SCD
SCHEMBL2317452 0.77 MAPT (0.71) PDE5AHDAC6GAAMAPTHTT
SCHEMBL6297436 0.76 MMP13 (0.56) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL2315109 0.75 PDE5A (0.50) PDE5AHDAC6HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9200046-B2 Reporter system for high throughput screening of compounds and uses thereof CORNELL UNIVERSITY (US) 2015-12-01 US disclosed
US-9200046-B2 Reporter system for high throughput screening of compounds and uses thereof CORNELL UNIVERSITY (US) 2015-12-01 US disclosed
US-20130005666-A1 REPORTER SYSTEM FOR HIGH THROUGHPUT SCREENING OF COMPOUNDS AND USES THEREOF CORNELL UNIVERSITY (US) 2013-01-03 US disclosed
US-20130005666-A1 REPORTER SYSTEM FOR HIGH THROUGHPUT SCREENING OF COMPOUNDS AND USES THEREOF CORNELL UNIVERSITY (US) 2013-01-03 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-20130005666-A1 REPORTER SYSTEM FOR HIGH THROUGHPUT SCREENING OF COMPOUNDS AND USES THEREOF NFE2, NFE2L2, UBE2N PDE5A 4136/4885HDAC6 661/4885HDAC3 1668/4885

“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.