SCHEMBL5801403

SCHEMBL5801403

N#CCCCN1C(=O)c2cccc(N)c2C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
ATM Q13315 3/20 0.50
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
MAPT P10636 4/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 3/20 0.47
MAPK1 P28482 2/20 0.47
PABPC1 P11940 3/20 0.46
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
LCK P06239 1/20 0.45
ACHE P22303 1/20 0.44
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HEXA P06865 2/20 0.43
HEXB P07686 2/20 0.43

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
SCHEMBL5780047 0.96 NPC1 (0.49) NPC1RAB9AATMMEN1KMT2A
SCHEMBL29459491 0.82 MAPT (0.60) RAB9AMAPTALDH1A1CA2CA9
SCHEMBL5889451 0.82 MAPT (0.60) RAB9AMAPTALDH1A1CA2CA9
SCHEMBL14560520 0.80 MAPT (0.63) NPC1RAB9AATMMEN1KMT2A
SCHEMBL3982796 0.80 HEXA (0.65) NPC1RAB9AATMMEN1KMT2A
SCHEMBL6407868 0.80 CA1 (0.55) ATMMEN1KMT2AALDH1A1MAPK1
SCHEMBL5781338 0.79 CA1 (0.48) NPC1RAB9AATMMEN1KMT2A
SCHEMBL13845080 0.79 NPC1 (0.52) NPC1RAB9AATMMEN1KMT2A
SCHEMBL5840903 0.78 TDP1 (0.56) RAB9AMAPTALDH1A1CA2CA9
SCHEMBL25359709 0.77 MEN1 (0.65) NPC1RAB9AATMMEN1KMT2A

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-1408962-B1 SUBSTITUTED ISOINDOLES AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2006-03-15 EP disclosed
US-6933295-B2 Substituted isoindoles and the use thereof BAYER AKTIENGESELLSCHAFT (DE) 2005-08-23 US disclosed
US-20050004207-A1 Nitrogen compounds such as N-(2-{4-[2-Amino-2-(hydroxyimino)ethyl]benzyl}-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl)-5-chloro-2-thiophenecarboxamide, used as blood-coagulation factor Xa antogonists for prophylaxis of cardiovascular disorders BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-01-06 US disclosed
EP-1408962-A1 SUBSTITUTED ISOINDOLES AND THE USE THEREOF Bayer HealthCare AG (DE) 2004-04-21 EP disclosed
WO-2003007942-A1 SUBSTITUTED ISOINDOLES AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2003-01-30 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-20050004207-A1 Nitrogen compounds such as N-(2-{4-[2-Amino-2-(hydroxyimino)ethyl]benzyl}-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl)-5-chloro-2-thiophenecarboxamide, used as blood-coagulation factor Xa antogonists for prophylaxis of cardiovascular disorders F2, SERPINC1, F11 NPC1 2517/4885RAB9A 4417/4885ATM 1433/4885

“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.