SCHEMBL5755579

SCHEMBL5755579

O=Cc1cc(-c2ccncc2)ccc1Cl

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.64
QDPR P09417 1/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
P2RX7 Q99572 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
KMO O15229 1/20 0.38
CHUK O15111 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
NPY5R Q15761 1/20 0.37

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
SCHEMBL10041726 0.81 ESR2 (0.47) ERN1MAPTLMNATDP1AHR
SCHEMBL30745188 0.79 ERN1 (0.66) ERN1QDPRMAPTLMNAPDE3B
SCHEMBL4734113 0.78 ERN1 (1.00) ERN1QDPRCHUKCYP19A1CYP3A4
SCHEMBL4732319 0.78 ERN1 (0.64) ERN1QDPRMAPTLMNAPDE3B
SCHEMBL8324614 0.76 ERN1 (0.61) ERN1QDPRMAPTLMNAPDE3B
SCHEMBL11153472 0.75 ERN1 (0.51) ERN1MAPTLMNAPDE3BPDE3A
SCHEMBL4732248 0.75 ERN1 (0.60) ERN1QDPRMAPTLMNAPDE3B
SCHEMBL31398624 0.74 ERN1 (0.74) ERN1QDPRMAPTLMNACHUK
SCHEMBL3252986 0.74 ERN1 (0.66) ERN1MAPTLMNATDP1
SCHEMBL22652708 0.73 ERN1 (0.52) ERN1TDP1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379234-B1 HALOGENATED AMINOBENZOPHENONES AND AMINOBENZOYLPYRIDINES AS INHIBITORS OF IL-1 AND TNF NOVARTIS AG (CH) 2006-03-29 EP disclosed
US-6919336-B2 Hallogenated aminobenzophenones and aminobenzoylpyridines as inhibitors of IL-1 and TNF NOVARTIS AG (CH) 2005-07-19 US disclosed
US-20040097731-A1 Hallogenated aminobenzophenones and aminobenzoylpyridines as inhibitors of il-1and tnf NOVARTIS AG (CH) 2004-05-20 US disclosed
EP-1379234-A1 HALOGENATED AMINOBENZOPHENONES AND AMINOBENZOYLPYRIDINES AS INHIBITORS OF IL-1 AND TNF Novartis AG (CH) 2004-01-14 EP disclosed
WO-2002076447-A1 HALLOGENATED AMINOBENZOPHENONES AND AMINOBENZOYLPYRIDINES AS INHIBITORS OF IL-1 AND TNF NOVARTIS AG (CH) 2002-10-03 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-20040097731-A1 Hallogenated aminobenzophenones and aminobenzoylpyridines as inhibitors of il-1and tnf TNF, NFKBIA, IL1A ERN1 3087/4885QDPR 995/4885MAPT 2379/4885

“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.