SCHEMBL6403958

SCHEMBL6403958

O=C(Nc1cccc2c1CN(Cc1cccc(CNc3ccc(F)cc3)c1)C2=O)c1ccc(Cl)s1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.82
ACKR3 P25106 2/20 0.37
PRSS12 P56730 1/20 0.37
KDM4E B2RXH2 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
SSTR3 P32745 1/20 0.35
HDAC1 Q13547 2/20 0.35
ALDH1A1 P00352 4/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
HPGD P15428 2/20 0.35
ESRRG P62508 1/20 0.35
HDAC4 P56524 2/20 0.35
STK33 Q9BYT3 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
LMNA P02545 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 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
SCHEMBL5782623 0.87 F10 (0.76) F10ACKR3PRSS12KDM4ENPSR1
SCHEMBL5777469 0.85 F10 (0.74) F10ACKR3PRSS12KDM4ENPSR1
SCHEMBL5784719 0.85 F10 (0.74) F10ACKR3KDM4ENPSR1RXFP1
SCHEMBL5779422 0.85 F10 (0.73) F10ACKR3PRSS12KDM4ENPSR1
SCHEMBL5779855 0.85 F10 (0.73) F10ACKR3PRSS12KDM4ENPSR1
SCHEMBL3380025 0.84 F10 (0.70) F10ACKR3PRSS12KDM4ENPSR1
SCHEMBL5783768 0.84 F10 (0.73) F10ACKR3KDM4EHDAC1ALDH1A1
SCHEMBL5784059 0.84 F10 (0.72) F10ACKR3PRSS12KDM4ENPSR1
SCHEMBL3376377 0.84 F10 (0.74) F10ACKR3PRSS12KDM4ENPSR1
SCHEMBL5801099 0.83 F10 (0.74) F10ACKR3PRSS12KDM4EHDAC1

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 F10 4/4885ACKR3 2289/4885PRSS12 327/4885

“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.