SCHEMBL6288545

SCHEMBL6288545

NC(=O)c1nnc2ccccn2c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
KDM4E B2RXH2 8/20 0.43
ALDH1A1 P00352 6/20 0.43
SMN1; SMN2 Q16637 8/20 0.42
GAA P10253 2/20 0.42
GLA P06280 2/20 0.42
RAB9A P51151 7/20 0.42
NPC1 O15118 6/20 0.42
TDP1 Q9NUW8 2/20 0.42
HPGD P15428 2/20 0.42
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 4/20 0.41
POLB P06746 2/20 0.41
BLM P54132 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 2/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL1684145 0.78 PTGS1 (0.53) PTGS1PTGS2KDM4EALDH1A1SMN1; SMN2
SCHEMBL10490734 0.77 LMNA (0.51) LMNAPTGS1PTGS2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL14759242 0.76 LMNA (0.50) LMNAPTGS1PTGS2KDM4EALDH1A1
SCHEMBL6347546 0.72 ALDH1A1 (0.58) LMNAKDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL6287499 0.72 KDM4E (0.47) PTGS1PTGS2KDM4EALDH1A1SMN1; SMN2
SCHEMBL29677209 0.71 THRB (0.57) PTGS1PTGS2KDM4EALDH1A1SMN1; SMN2
SCHEMBL29178103 0.71 ALDH1A1 (0.47) LMNAPTGS1PTGS2KDM4EALDH1A1
SCHEMBL21577705 0.70 KDM4E (0.61) LMNAPTGS1PTGS2KDM4EALDH1A1
SCHEMBL15924279 0.70 ALDH1A1 (0.70) LMNAPTGS1PTGS2KDM4EALDH1A1
SCHEMBL13732765 0.70 ALDH1A1 (0.66) LMNAPTGS1PTGS2KDM4EALDH1A1

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 LMNA 4330/4885PTGS1 1700/4885PTGS2 2960/4885
US-20020025960-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 LMNA 4330/4885PTGS1 1700/4885PTGS2 2960/4885
US-20030207880-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 LMNA 4330/4885PTGS1 1700/4885PTGS2 2960/4885

“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.