SCHEMBL5453734

SCHEMBL5453734

O=C(NO)c1ccc(-c2ccc(CNCCCN3CCCC3)cc2)o1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
HDAC1 Q13547 3/20 0.50
KMT2A Q03164 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
USP2 O75604 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HDAC6 Q9UBN7 2/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
DNMT1 P26358 1/20 0.41
EHMT2 Q96KQ7 1/20 0.41
LMNA P02545 2/20 0.40
HDAC8 Q9BY41 1/20 0.40

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
SCHEMBL5453726 0.93 DPP7 (0.50) ALDH1A1HDAC1KMT2ADPP7USP2
SCHEMBL5446779 0.92 DPP7 (0.49) ALDH1A1HDAC1KMT2ADPP7USP2
SCHEMBL5452564 0.91 ALDH1A1 (0.66) ALDH1A1KMT2ACYP3A4CYP2D6CYP2C19
SCHEMBL5444760 0.84 ALDH1A1 (0.59) ALDH1A1KMT2ACYP3A4CYP2D6CYP2C19
SCHEMBL8288789 0.81 DPP7 (0.48) ALDH1A1HDAC1KMT2ADPP7TSHR
SCHEMBL5456286 0.81 KDM4E (0.45) ALDH1A1HDAC1KMT2AMAPTMAPK1
SCHEMBL8288792 0.81 ATR (0.47) ALDH1A1KMT2ADPP7TSHRSMN1; SMN2
SCHEMBL5448933 0.78 LMNA (0.50) ALDH1A1KMT2ACYP3A4CYP2D6CYP2C19
SCHEMBL5445375 0.78 MAPT (0.59) ALDH1A1HDAC1KMT2AUSP2MAPT
SCHEMBL5450927 0.78 SUCNR1 (0.45) ALDH1A1HDAC1KMT2AMAPTTSHR

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-20070167499-A1 Biaryl linked hydroxamates: preparation and pharmaceutical applications A*BIO PTE LTD. (SG) 2007-07-19 US disclosed
US-20070167499-A1 Biaryl linked hydroxamates: preparation and pharmaceutical applications A*BIO PTE LTD. (SG) 2007-07-19 US disclosed
US-20070167499-A1 Biaryl linked hydroxamates: preparation and pharmaceutical applications A*BIO PTE LTD. (SG) 2007-07-19 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-20070167499-A1 Biaryl linked hydroxamates: preparation and pharmaceutical applications HDAC1, HDAC11, HDAC2 ALDH1A1 447/4885HDAC1 1/4885KMT2A 80/4885

“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.