SCHEMBL3092909

SCHEMBL3092909

CC(=O)Nc1ccc(OCCCCCBr)cc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.65
KMT2A Q03164 3/20 0.61
LMNA P02545 2/20 0.61
MEN1 O00255 2/20 0.61
CYP1A2 P05177 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
MAPT P10636 4/20 0.57
GAA P10253 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HTT P42858 2/20 0.54
RAB9A P51151 1/20 0.54
HSD17B10 Q99714 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
HPGD P15428 1/20 0.52
RECQL P46063 1/20 0.52
FAAH O00519 3/20 0.52
TBXAS1 P24557 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
SCHEMBL3096307 0.98 ALDH1A1 (0.67) ALDH1A1KMT2ALMNAMEN1CYP1A2
SCHEMBL22930926 0.94 ALDH1A1 (0.61) ALDH1A1KMT2ALMNAMEN1CYP1A2
SCHEMBL3102351 0.94 ALDH1A1 (0.69) ALDH1A1KMT2ALMNAMEN1CYP1A2
SCHEMBL9570672 0.92 ALDH1A1 (0.75) ALDH1A1KMT2ALMNAMEN1CYP1A2
SCHEMBL9570550 0.92 ALDH1A1 (0.75) ALDH1A1KMT2ALMNAMEN1CYP1A2
SCHEMBL2435473 0.89 ALDH1A1 (0.71) ALDH1A1KMT2ALMNAMEN1CYP1A2
SCHEMBL10802880 0.87 ALDH1A1 (0.77) ALDH1A1KMT2ALMNAMEN1CYP1A2
SCHEMBL9885419 0.86 FAAH (0.68) ALDH1A1KMT2ALMNAMEN1CYP1A2
SCHEMBL16316826 0.86 FAAH (0.68) ALDH1A1KMT2ALMNAMEN1CYP1A2
SCHEMBL8733277 0.86 FAAH (0.68) ALDH1A1KMT2ALMNAMEN1CYP1A2

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
EP-2188245-B1 Nitric oxide releasing derivatives of paracetamol COUNCIL SCIENT IND RES (IN) 2013-11-06 EP disclosed
US-8207222-B2 Nitric oxide releasing derivatives of paracetamol COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2012-06-26 US disclosed
US-8207222-B2 Nitric oxide releasing derivatives of paracetamol COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2012-06-26 US disclosed
US-8207222-B2 Nitric oxide releasing derivatives of paracetamol COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2012-06-26 US disclosed
US-20100234472-A1 NITRIC OXIDE RELEASING DERIVATIVES OF PARACETAMOL COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH 2010-09-16 US disclosed
US-20100234472-A1 NITRIC OXIDE RELEASING DERIVATIVES OF PARACETAMOL COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH 2010-09-16 US disclosed
US-20100234472-A1 NITRIC OXIDE RELEASING DERIVATIVES OF PARACETAMOL COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH 2010-09-16 US disclosed
EP-2188245-A1 NITRIC OXIDE RELEASING DERIVATIVES OF PARACETAMOL Council Of Scientific&industrial Research (IN) 2010-05-26 EP disclosed
WO-2009024998-A1 NITRIC OXIDE RELEASING DERIVATIVES OF PARACETAMOL COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2009-02-26 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-20100234472-A1 NITRIC OXIDE RELEASING DERIVATIVES OF PARACETAMOL NOS2, NOS3, NOS1 ALDH1A1 604/4885KMT2A 4537/4885LMNA 4730/4885

“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.