SCHEMBL6004364

SCHEMBL6004364

CCCC(=O)Nc1ccc(C=O)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.68
MAPT P10636 5/20 0.67
KDM4E B2RXH2 3/20 0.67
ALDH1A1 P00352 4/20 0.60
HPGD P15428 4/20 0.60
THRB P10828 1/20 0.59
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA9 Q16790 1/20 0.57
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
HTT P42858 2/20 0.55
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 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
SCHEMBL2739420 0.90 ALDH1A1 (0.59) TP53MAPTKDM4EALDH1A1HPGD
SCHEMBL1916615 0.89 POLB (0.56) TP53MAPTKDM4EALDH1A1HPGD
SCHEMBL10879959 0.88 PSMB11 (0.61) TP53MAPTKDM4EALDH1A1HPGD
SCHEMBL3865176 0.87 PSMB11 (0.63) TP53MAPTALDH1A1HPGDTHRB
SCHEMBL10891781 0.87 PSMB11 (0.63) TP53MAPTALDH1A1HPGDTHRB
SCHEMBL9122651 0.87 PSMB11 (0.63) TP53MAPTALDH1A1HPGDTHRB
SCHEMBL21597970 0.87 PSMB11 (0.63) TP53MAPTALDH1A1HPGDTHRB
SCHEMBL4863930 0.87 PSMB11 (0.63) TP53MAPTALDH1A1HPGDTHRB
SCHEMBL11273760 0.85 KDM4E (0.65) TP53MAPTKDM4EALDH1A1HPGD
SCHEMBL11918281 0.84 MAPT (0.53) TP53MAPTKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2450401-B1 Flame-resistant compound containing a phosphoric acid derivative THOR GMBH (DE) 2013-04-17 EP disclosed
US-20060167087-A1 Substituted aniline derivatives H. LUNDBECK A/S (DK) 2006-07-27 US disclosed
EP-1606247-A1 SUBSTITUTED ANILINE DERIVATIVES H. Lundbeck A/S (DK) 2005-12-21 EP disclosed
WO-2004080950-A1 SUBSTITUTED ANILINE DERIVATIVES H. LUNDBECK A/S (DK) 2004-09-23 WO disclosed
US-6608082-B1 Treatment of erectile dysfunction using isoquinoline compound melanocortin receptor ligands LION BIOSCIENCE AG (DE) 2003-08-19 US disclosed
US-5691341-A ANTILEUKEMIA AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-11-25 US disclosed
CN-1114834-A antidiabetic agent OTSUKA PHARMA CO LTD (JP) 1996-01-10 CN disclosed
US-5464833-A Anticarcinogenic agents, antiretrovirus agents or autoimmune diseases OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-11-07 US disclosed
EP-0623598-A1 APOPTOSIS REGULATOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-11-09 EP disclosed
US-4415572-A CARDIOTONIC AND INOTROPIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1983-11-15 US 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-20060167087-A1 Substituted aniline derivatives CYP3A43, UGT2B7, CYP3A7 TP53 1460/4885MAPT 860/4885KDM4E 3726/4885

“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.