SCHEMBL4132568

SCHEMBL4132568

O=C(CCCCC(=O)N1CCN(c2cccc(Cl)c2)CC1)NO

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.73
SMN1; SMN2 Q16637 3/20 0.71
ALDH1A1 P00352 3/20 0.71
TSHR P16473 2/20 0.71
KDM4E B2RXH2 1/20 0.71
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
HTR1A P08908 6/20 0.65
HTR7 P34969 5/20 0.65
LMNA P02545 2/20 0.58
MAPT P10636 2/20 0.58
NPSR1 Q6W5P4 1/20 0.58
HTR2A P28223 1/20 0.56
HTR6 P50406 1/20 0.56
MMP2 P08253 1/20 0.55
ADAMTS5 Q9UNA0 1/20 0.55

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
SCHEMBL1374186 0.99 HDAC1 (0.76) HDAC1SMN1; SMN2ALDH1A1TSHRKDM4E
SCHEMBL1376558 0.99 HDAC1 (0.76) HDAC1SMN1; SMN2ALDH1A1TSHRKDM4E
SCHEMBL4126191 0.97 SMN1; SMN2 (0.75) HDAC1SMN1; SMN2ALDH1A1TSHRKDM4E
SCHEMBL3995728 0.92 MEN1 (0.76) HDAC1SMN1; SMN2ALDH1A1TSHRKDM4E
SCHEMBL12432012 0.88 ALDH1A1 (0.68) HDAC1SMN1; SMN2ALDH1A1TSHRKDM4E
SCHEMBL12431958 0.88 ALDH1A1 (0.68) HDAC1SMN1; SMN2ALDH1A1TSHRKDM4E
SCHEMBL4125967 0.86 HDAC1 (0.97) HDAC1SMN1; SMN2MEN1KMT2AHTR1A
SCHEMBL4119827 0.85 MAPT (0.80) HDAC1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL1375222 0.85 HDAC1 (0.63) HDAC1SMN1; SMN2ALDH1A1TSHRKDM4E
SCHEMBL12150979 0.85 HDAC1 (0.63) HDAC1SMN1; SMN2ALDH1A1TSHRKDM4E

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
EP-1694329-A4 DIAMINE AND IMINODIACETIC ACID HYDROXAMIC ACID DERIVATES ATON PHARMA INC (US) 2009-06-03 EP disclosed
US-20090023718-A1 Diamine and Iminodiacetic Acid Hydroxamic Acid Derivatives ATON PHARMA, INC. (US) 2009-01-22 US disclosed
US-20090023718-A1 Diamine and Iminodiacetic Acid Hydroxamic Acid Derivatives ATON PHARMA, INC. (US) 2009-01-22 US disclosed
US-20090023718-A1 Diamine and Iminodiacetic Acid Hydroxamic Acid Derivatives ATON PHARMA, INC. (US) 2009-01-22 US disclosed
EP-1694329-A2 DIAMINE AND IMINODIACETIC ACID HYDROXAMIC ACID DERIVATES Aton Pharma, Inc. (US) 2006-08-30 EP disclosed
WO-2005053610-A2 DIAMINE AND IMINODIACETIC ACID HYDROXAMIC ACID DERIVATIVES ATON PHARMA, INC. (US) 2005-06-16 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-20090023718-A1 Diamine and Iminodiacetic Acid Hydroxamic Acid Derivatives AADAC, BRDT, HDAC5 HDAC1 5/4885SMN1; SMN2 642/4885ALDH1A1 930/4885

“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.