SCHEMBL7829459

SCHEMBL7829459

O=C(CCCCCc1nc2ccccc2s1)NO

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.67
HTT P42858 4/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
ALOX15 P16050 1/20 0.64
HPGD P15428 5/20 0.64
POLB P06746 1/20 0.64
ATM Q13315 1/20 0.64
HDAC1 Q13547 4/20 0.59
ALDH1A1 P00352 3/20 0.59
HDAC3 O15379 3/20 0.59
HDAC4 P56524 3/20 0.59
HDAC7 Q8WUI4 3/20 0.59
HDAC2 Q92769 3/20 0.59
HDAC10 Q969S8 3/20 0.59
HDAC11 Q96DB2 3/20 0.59
HDAC8 Q9BY41 3/20 0.59
HDAC6 Q9UBN7 3/20 0.59
HDAC9 Q9UKV0 3/20 0.59
HDAC5 Q9UQL6 3/20 0.59
PKM P14618 2/20 0.59

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
SCHEMBL7829947 1.00 LMNA (0.67) LMNAHTTSMN1; SMN2ALOX15HPGD
SCHEMBL12046948 0.99 LMNA (0.68) LMNAHTTSMN1; SMN2ALOX15HPGD
SCHEMBL12046962 0.94 LMNA (0.74) LMNAHTTSMN1; SMN2ALOX15HPGD
SCHEMBL7382460 0.89 HPGD (0.65) LMNAHTTSMN1; SMN2ALOX15HPGD
SCHEMBL4700801 0.85 HTT (0.69) LMNAHTTSMN1; SMN2ALOX15HPGD
SCHEMBL7835431 0.85 SMN1; SMN2 (0.89) LMNAHTTSMN1; SMN2ALOX15HPGD
SCHEMBL7835167 0.85 SMN1; SMN2 (0.89) LMNAHTTSMN1; SMN2ALOX15HPGD
Methane SCHEMBL7997331 0.83 SMN1; SMN2 (0.86) LMNAHTTSMN1; SMN2ALOX15HPGD
SCHEMBL4703104 0.83 HTT (0.71) LMNAHTTSMN1; SMN2ALOX15HPGD
SCHEMBL6645560 0.83 SMN1; SMN2 (0.91) LMNAHTTSMN1; SMN2ALOX15HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071620-B2 Carbamic acid compounds comprising a bicyclic heteroaryl group as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2011-12-06 US disclosed
US-8071620-B2 Carbamic acid compounds comprising a bicyclic heteroaryl group as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2011-12-06 US disclosed
US-20100093743-A1 CARBAMIC ACID COMPOUNDS COMPRISING A BICYCLIC HETEROARYL GROUP AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2010-04-15 US disclosed
US-20100093743-A1 CARBAMIC ACID COMPOUNDS COMPRISING A BICYCLIC HETEROARYL GROUP AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2010-04-15 US disclosed
US-7652036-B2 Carbamic acid compounds comprising a bicyclic heteroaryl group as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2010-01-26 US disclosed
US-7652036-B2 Carbamic acid compounds comprising a bicyclic heteroaryl group as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2010-01-26 US disclosed
EP-0737671-B1 Aromatic hydroxamic acid compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-12-12 EP disclosed
US-5804601-A USEFUL FOR TREATING ALZHEIMER'S DISEASE, MULTIPLE SCLEROSIS, BACTERIAL OR VIRAL MENINGITIS, DOWN'S SYNDROME AND PARKINSON'S DISEASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-08 US disclosed
EP-0737671-A2 Aromatic hydroxamic acid compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1996-10-16 EP 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-20100093743-A1 CARBAMIC ACID COMPOUNDS COMPRISING A BICYCLIC HETEROARYL GROUP AS HDAC INHIBITORS HDAC1, HDAC7, HDAC5 LMNA 364/4885HTT 1234/4885SMN1; SMN2 4756/4885

“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.