SCHEMBL6352880

SCHEMBL6352880

NC(=O)c1ccc2[nH]c(=O)ccc2c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 8/20 0.44
PDE3A Q14432 8/20 0.44
PIM1 P11309 1/20 0.38
PIM3 Q86V86 1/20 0.38
KDM4E B2RXH2 6/20 0.38
ALDH1A1 P00352 5/20 0.38
GAA P10253 3/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
CACNA1B Q00975 2/20 0.37
APBA1 Q02410 2/20 0.37
IDE P14735 1/20 0.37
MPI P34949 1/20 0.37
ERN1 O75460 1/20 0.37
ATM Q13315 1/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL30380476 0.77 ALDH1A1 (0.47) PDE3BPDE3APIM1PIM3KDM4E
SCHEMBL10648824 0.77 PDE3B (0.44) PDE3BPDE3AKDM4EALDH1A1GAA
SCHEMBL19149667 0.76 PDE3B (0.46) PDE3BPDE3AKDM4EALDH1A1GAA
SCHEMBL30690978 0.76 PDE3B (0.46) PDE3BPDE3AKDM4EALDH1A1GAA
SCHEMBL3148022 0.73 PDE3B (0.44) PDE3BPDE3AKDM4EALDH1A1GAA
SCHEMBL10412501 0.73 PDE3B (0.44) PDE3BPDE3AKDM4EALDH1A1GAA
SCHEMBL3424158 0.70 ERN1 (0.54) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL30211643 0.70 ERN1 (0.54) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL30497772 0.68 BRD4 (0.47) KDM4EALDH1A1MAPTKMT2AHPGD
SCHEMBL11256062 0.68 GRIN2D (0.50) PDE3BPDE3AALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6903097-B2 Heterocycle carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY (US) 2005-06-07 US disclosed
US-20040142928-A1 Heterocycle carboxamides as antiviral agents BUNDY GORDON L (US) 2004-07-22 US disclosed
US-20030207880-A1 Heterocycle carboxamides as antiviral agents BUNDY GORDON L (US) 2003-11-06 US disclosed
US-6559145-B2 Herpes virus PHARMACIA & UPJOHN COMPANY 2003-05-06 US disclosed
EP-1301493-A2 HETEROCYCLE CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2003-04-16 EP disclosed
US-20020025960-A1 Heterocycle carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-02-28 US disclosed
WO-2002004444-A2 HETEROCYCLE CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2002-01-17 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 (3 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-20040142928-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 PDE3B 2126/4885PDE3A 2450/4885PIM1 589/4885
US-20020025960-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 PDE3B 2126/4885PDE3A 2450/4885PIM1 589/4885
US-20030207880-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 PDE3B 2126/4885PDE3A 2450/4885PIM1 589/4885

“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.