SCHEMBL7677974

SCHEMBL7677974

COc1cc(-c2cccnc2)ccc1C=O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.69
MKNK1 Q9BUB5 4/20 0.59
MKNK2 Q9HBH9 4/20 0.59
CYP11B2 P19099 4/20 0.52
CYP19A1 P11511 3/20 0.52
CYP11B1 P15538 3/20 0.52
CYP17A1 P05093 2/20 0.52
PDGFRB P09619 1/20 0.51
PDGFRA P16234 1/20 0.51
MAPK1 P28482 2/20 0.50
KDM4E B2RXH2 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ALDH1A1 P00352 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 1/20 0.47
NPY5R Q15761 1/20 0.47
POLB P06746 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL4734973 0.88 ERN1 (0.69) ERN1MKNK1MKNK2CYP11B2CYP19A1
SCHEMBL32670810 0.82 ALDH1A1 (0.68) ERN1KDM4EHSD17B10ALDH1A1NPC1
SCHEMBL11871188 0.82 ALDH1A1 (0.68) ERN1KDM4EHSD17B10ALDH1A1NPC1
SCHEMBL12766984 0.82 ERN1 (1.00) ERN1
SCHEMBL6040671 0.81 ERN1 (0.64) ERN1MKNK1MKNK2CYP11B2CYP19A1
SCHEMBL11342031 0.81 KDM4E (0.70) ERN1MKNK1MKNK2CYP11B2CYP19A1
SCHEMBL29869842 0.81 ALDH1A1 (0.58) ERN1KDM4EALDH1A1NPC1RAB9A
SCHEMBL30196133 0.81 KDM4E (0.70) ERN1MKNK1MKNK2CYP11B2CYP19A1
SCHEMBL505528 0.81 ALDH1A1 (0.58) ERN1KDM4EALDH1A1NPC1RAB9A
Hydrochloric Acid SCHEMBL11336399 0.80 KDM4E (0.68) ERN1MKNK1MKNK2CYP11B2CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020143011-A1 Tri-substituted phenyl derivatives and processes for their preparation CELLTECH THERAPEUTICS, LIMITED 2002-10-03 US disclosed
US-6245774-B1 ANTIINFLAMMATORY AGENTS; BRONCHODILATOR AGENTS CELLTECH THERAPEUTICS LIMITED (GB) 2001-06-12 US disclosed
EP-0766669-A1 TRI-SUBSTITUTED PHENYL DERIVATIVES USEFUL AS PDE IV INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1997-04-09 EP disclosed
WO-1995035283-A1 TRI-SUBSTITUTED PHENYL DERIVATIVES USEFUL AS PDE IV INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1995-12-28 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-20020143011-A1 Tri-substituted phenyl derivatives and processes for their preparation CBR1, NCOR1, CNR1 ERN1 625/4885MKNK1 4405/4885MKNK2 4315/4885

“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.