SCHEMBL6401507

SCHEMBL6401507

O=C(Nc1cccc2c1C(=O)N(Cc1cccc(CN3CCCC3)c1)C2=O)c1ccc(Cl)s1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.50
F10 P00742 1/20 0.50
ACKR3 P25106 2/20 0.48
CACNA1G O43497 8/20 0.43
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
UTS2R Q9UKP6 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HDAC1 Q13547 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
STK33 Q9BYT3 1/20 0.38
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38

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
SCHEMBL6402701 0.99 F10 (0.49) ACHEF10ACKR3CACNA1GKDM4E
SCHEMBL5781951 0.89 F10 (0.51) ACHEF10ACKR3KDM4EMAPT
SCHEMBL5781766 0.88 F10 (0.50) ACHEF10ACKR3KDM4EMAPT
SCHEMBL5779457 0.88 F10 (0.50) ACHEF10ACKR3KDM4EMAPT
SCHEMBL3381035 0.87 F10 (0.51) ACHEF10ACKR3KDM4EMAPT
SCHEMBL5785214 0.86 F10 (0.51) ACHEF10ACKR3KDM4EMAPT
SCHEMBL5779826 0.86 F10 (0.48) ACHEF10ACKR3KDM4EMAPT
SCHEMBL6402784 0.85 F10 (0.52) ACHEF10KDM4EMAPTMAPK1
SCHEMBL5780091 0.85 F10 (0.48) ACHEF10ACKR3KDM4EMAPT
SCHEMBL5781909 0.85 F10 (0.51) ACHEF10ACKR3KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 ACHE 207/4885F10 4/4885ACKR3 2289/4885

“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.