SCHEMBL4113501

SCHEMBL4113501

O=C(CCCCCCC(=O)N1CCN(c2ccc(Cl)cc2)CC1)NO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 1.00
MAPT P10636 5/20 0.57
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
LMNA P02545 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
HTR7 P34969 3/20 0.56
HDAC8 Q9BY41 2/20 0.56
HTR1A P08908 2/20 0.56
CNR1 P21554 1/20 0.56
AKR1C3 P42330 1/20 0.56
CACNA1G O43497 2/20 0.55
POLB P06746 1/20 0.54
RECQL P46063 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NPC1 O15118 1/20 0.53
GAA P10253 1/20 0.53
MAPK1 P28482 1/20 0.53
RAB9A P51151 1/20 0.53
ME2 P23368 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
SCHEMBL1374613 1.00 HDAC1 (1.00) HDAC1MAPTKMT2AMEN1LMNA
SCHEMBL4121311 1.00 HDAC1 (1.00) HDAC1MAPTKMT2AMEN1LMNA
SCHEMBL4125967 0.99 HDAC1 (0.97) HDAC1MAPTKMT2AMEN1LMNA
SCHEMBL4124097 0.96 HDAC1 (0.92) HDAC1MAPTKMT2AMEN1LMNA
SCHEMBL3999754 0.91 HDAC1 (0.82) HDAC1MAPTKMT2AMEN1LMNA
SCHEMBL12150976 0.87 HDAC1 (0.77) HDAC1MAPTLMNANPSR1HTR7
SCHEMBL14159458 0.87 HDAC1 (0.77) HDAC1MAPTLMNANPSR1HTR7
SCHEMBL1377912 0.87 HDAC1 (0.77) HDAC1MAPTLMNANPSR1HDAC8
SCHEMBL1374177 0.86 MAPT (0.78) HDAC1MAPTKMT2AMEN1LMNA
SCHEMBL1374706 0.86 MAPT (0.78) HDAC1MAPTKMT2AMEN1LMNA

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 5/4885MAPT 1274/4885KMT2A 47/4885

“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.