SCHEMBL4124180

SCHEMBL4124180

O=C(CCCC(=O)N1CCN(c2ccccc2)CC1)NO

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.75
LMNA P02545 1/20 0.75
NPSR1 Q6W5P4 1/20 0.75
HDAC1 Q13547 2/20 0.70
HTR1A P08908 2/20 0.64
HTR7 P34969 2/20 0.64
HDAC8 Q9BY41 1/20 0.64
SMN1; SMN2 Q16637 4/20 0.63
NPC1 O15118 4/20 0.63
RAB9A P51151 4/20 0.63
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 1/20 0.56
TSHR P16473 1/20 0.56
HSD17B10 Q99714 1/20 0.54

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
SCHEMBL4119827 0.97 MAPT (0.80) MAPTLMNANPSR1HDAC1HTR1A
SCHEMBL1374706 0.96 MAPT (0.78) MAPTLMNANPSR1HDAC1HTR1A
SCHEMBL1374177 0.96 MAPT (0.78) MAPTLMNANPSR1HDAC1HTR1A
SCHEMBL8285511 0.91 MAPT (0.69) MAPTLMNANPSR1HDAC1HTR1A
SCHEMBL4124097 0.86 HDAC1 (0.92) MAPTLMNANPSR1HDAC1HTR1A
SCHEMBL4126191 0.85 SMN1; SMN2 (0.75) MAPTLMNANPSR1HDAC1HTR1A
SCHEMBL1327430 0.84 MAPT (0.82) MAPTLMNANPSR1HTR1AHTR7
SCHEMBL4125967 0.83 HDAC1 (0.97) MAPTLMNANPSR1HDAC1HTR1A
SCHEMBL12432013 0.83 MAPT (0.76) MAPTLMNANPSR1HDAC1HTR1A
SCHEMBL30528252 0.83 MAPT (0.86) MAPTLMNANPSR1HTR1AHTR7

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 MAPT 1274/4885LMNA 3592/4885NPSR1 3565/4885

“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.