SCHEMBL6285909

SCHEMBL6285909

NC(=O)c1coc2ncccc2c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 3/20 0.44
PDE4A P27815 1/20 0.41
PARP1 P09874 1/20 0.41
MAOB P27338 5/20 0.41
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
IKBKB O14920 1/20 0.38
CHUK O15111 1/20 0.38
LIMK1 P53667 1/20 0.38
RPS6KB1 P23443 1/20 0.37
CAMKK2 Q96RR4 1/20 0.37
LMNA P02545 1/20 0.36
ALOX12 P18054 1/20 0.36
HTT P42858 1/20 0.36
CCR6 P51684 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL15129410 0.77 KDM4E (0.48) KDM4EALDH1A1MAOBMAPTSMN1; SMN2
SCHEMBL16395261 0.75 MAP2K1 (0.57) KDM4EALDH1A1L3MBTL1HTT
SCHEMBL30643084 0.73 MAOB (0.72) MAOBMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL4974849 0.73 MAOB (0.72) MAOBMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL14661574 0.72 KDM4E (0.36) KDM4EALDH1A1MAPTIKBKBCHUK
SCHEMBL2563501 0.72 HSD17B10 (0.44) ALDH1A1MAPTLMNAHPGDHSD17B10
SCHEMBL6340806 0.72 LIMK1 (0.48) KDM4EALDH1A1PDE4APARP1MAPT
SCHEMBL11310563 0.70 TTR (0.51) KDM4EALDH1A1MAPTSMN1; SMN2L3MBTL1
SCHEMBL9869472 0.70 ALDH1A1 (0.49) KDM4EALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL14661115 0.70 MPO (0.39) KDM4EALDH1A1IKBKBCHUKLIMK1

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 KDM4E 201/4885ALDH1A1 779/4885PDE4A 2735/4885
US-20020025960-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 KDM4E 201/4885ALDH1A1 779/4885PDE4A 2735/4885
US-20030207880-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 KDM4E 201/4885ALDH1A1 779/4885PDE4A 2735/4885

“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.