SCHEMBL5779477

SCHEMBL5779477

NC(=O)c1cc(Oc2cccc(CO)c2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.46
KCNH2 Q12809 1/20 0.46
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
P2RX3 P56373 3/20 0.43
RAF1 P04049 4/20 0.42
BRAF P15056 2/20 0.42
NR3C2 P08235 1/20 0.41
F10 P00742 1/20 0.40
GRM5 P41594 1/20 0.40
TNKS O95271 1/20 0.40
PARP15 Q460N3 1/20 0.40
PARP14 Q460N5 1/20 0.40
PARP10 Q53GL7 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
LOXL2 Q9Y4K0 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
SCHEMBL5781691 0.83 KDR (0.55) RAF1BRAF
SCHEMBL4155509 0.82 PARP10 (0.51) OPRK1KCNH2RAF1BRAFGRM5
SCHEMBL177837 0.81 MAOB (0.50) OPRK1KCNH2RAF1BRAFGRM5
SCHEMBL23900346 0.80 USP2 (0.50) KCNH2P2RX3RAF1BRAFGRM5
SCHEMBL29757280 0.80 USP2 (0.50) KCNH2P2RX3RAF1BRAFGRM5
SCHEMBL257972 0.80 MAPT (0.48) SMN1; SMN2RAF1BRAFGRM5
SCHEMBL5782535 0.80 NOS3 (0.46) TSHRSMN1; SMN2F10
SCHEMBL30193091 0.78 RECQL (0.50) OPRK1KCNH2TSHRBRAFNR3C2
SCHEMBL2328151 0.78 RECQL (0.50) OPRK1KCNH2TSHRBRAFNR3C2
SCHEMBL4359501 0.78 PARP10 (0.57) OPRK1KCNH2PARP10

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 OPRK1 402/4885KCNH2 2740/4885TSHR 2719/4885

“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.