SCHEMBL6404923

SCHEMBL6404923

NC[C@H]1CC[C@H](CN2C(=O)c3cccc(NC(=O)c4ccc(Cl)s4)c3C2=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.43
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
F10 P00742 3/20 0.40
STK33 Q9BYT3 1/20 0.39
RPS6KA2 Q15349 2/20 0.36
MAPT P10636 2/20 0.36
CYP1B1 Q16678 1/20 0.35
KDM4E B2RXH2 4/20 0.35
NR1I2 O75469 1/20 0.35
UGCG Q16739 1/20 0.35
ACKR3 P25106 1/20 0.35
CCNE2 O96020 1/20 0.35
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34

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
SCHEMBL5784441 1.00 ACHE (0.43) ACHEALDH1A1HPGDSMN1; SMN2F10
SCHEMBL4311995 0.89 ACHE (0.43) ACHEALDH1A1HPGDSMN1; SMN2F10
SCHEMBL6404900 0.88 ACHE (0.43) ACHEALDH1A1HPGDSMN1; SMN2F10
SCHEMBL6401407 0.86 ACHE (0.40) ACHEALDH1A1HPGDSMN1; SMN2F10
SCHEMBL6404904 0.86 ACHE (0.42) ACHEALDH1A1HPGDSMN1; SMN2F10
SCHEMBL6406958 0.86 ACHE (0.42) ACHEALDH1A1HPGDSMN1; SMN2F10
SCHEMBL5784224 0.86 ACHE (0.40) ACHEALDH1A1HPGDSMN1; SMN2F10
SCHEMBL4306487 0.84 ACHE (0.47) ACHEALDH1A1HPGDSMN1; SMN2F10
SCHEMBL5780391 0.84 ACHE (0.42) ACHEALDH1A1HPGDSMN1; SMN2F10
SCHEMBL4305643 0.83 HPGD (0.42) ACHEALDH1A1HPGDSMN1; SMN2F10

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 207/4885ALDH1A1 1523/4885HPGD 25/4885

“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.