SCHEMBL4054492

SCHEMBL4054492

CCn1nc(-c2ccccc2)ccc1=O

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.62
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
POLB P06746 1/20 0.55
KDM4E B2RXH2 3/20 0.55
HSD17B10 Q99714 3/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TSHR P16473 2/20 0.52
TP53 P04637 2/20 0.51
CYP1A2 P05177 1/20 0.51
ALDH1A1 P00352 1/20 0.48

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
Bromide SCHEMBL5751833 0.98 HTT (0.61) HTTMEN1KMT2APOLBKDM4E
SCHEMBL4061176 0.84 MAPT (0.52) HTTMEN1KMT2AKDM4EHSD17B10
SCHEMBL4057475 0.83 TBXAS1 (0.55) HTTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL27659527 0.83 HTT (0.47) HTTMEN1KMT2APOLBKDM4E
SCHEMBL24035608 0.83 MEN1 (0.52) HTTMEN1KMT2AKDM4EHSD17B10
SCHEMBL10194702 0.83 KDM4E (0.52) HTTMEN1KMT2AKDM4EHSD17B10
SCHEMBL11165443 0.82 MEN1 (0.59) HTTMEN1KMT2APOLBKDM4E
SCHEMBL11096921 0.82 MEN1 (0.59) HTTMEN1KMT2APOLBKDM4E
SCHEMBL11175020 0.82 MEN1 (0.59) HTTMEN1KMT2APOLBKDM4E
SCHEMBL11402474 0.81 MEN1 (0.52) HTTMEN1KMT2AKDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7511038-B2 Pyridazin-3(2H)-one derivatives and their use as PDE4 inhibitors LABORATORIOS ALMIRALL S.A. (ES) 2009-03-31 US disclosed
US-20070197536-A1 phosphodiesterase enzyme inhibitor; 4-[(3-chlorophenyl)amino]-2-ethyl-5-(1-hydroxyethyl)-6-phenylpyridazin-3(2H)-one; potent antiinflammatory agent; asthma, atopic dermatitis, psoriasis, chronic obstructive pulmonary disease, rheumatoid arthritis, irritable bowel disease LABORATORIOS ALMIRALL, S.A. (ES) 2007-08-23 US disclosed
CN-1878759-A Pyridazin-3 (2H) -one derivatives and their use as PDE4 inhibitors ALMIRALL PRODESFARMA SA (ES) 2006-12-13 CN 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-20070197536-A1 phosphodiesterase enzyme inhibitor; 4-[(3-chlorophenyl)amino]-2-ethyl-5-(1-hydroxyethyl)-6-phenylpyridazin-3(2H)-one; potent antiinflammatory agent; asthma, atopic dermatitis, psoriasis, chronic obstructive pulmonary disease, rheumatoid arthritis, irritable bowel disease PDE12, PDE4A, PDE7A HTT 4753/4885MEN1 4864/4885KMT2A 1928/4885

“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.