SCHEMBL6487722

SCHEMBL6487722

COc1cc(C(=N)N)ccc1CNC(=O)[C@@H]1CCCN1C(=O)CNC1CCCCCCC1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 0.50
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
TDP1 Q9NUW8 3/20 0.42
P2RX7 Q99572 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL6485834 0.98 F2 (0.48) F2ALDH1A1SMN1; SMN2TDP1
SCHEMBL6476142 0.92 F2 (0.49) F2ALDH1A1TDP1P2RX7
SCHEMBL6476964 0.90 F2 (0.49) F2ALDH1A1TDP1
SCHEMBL6483864 0.89 F2 (0.52) F2ALDH1A1TDP1P2RX7
SCHEMBL6475470 0.88 F2 (0.51) F2ALDH1A1TDP1P2RX7
SCHEMBL6477042 0.84 ALDH1A1 (0.51) F2ALDH1A1SMN1; SMN2
SCHEMBL23752337 0.84 F2 (0.69) F2ALDH1A1
SCHEMBL21067875 0.84 F2 (0.69) F2ALDH1A1
SCHEMBL21067877 0.84 F2 (0.69) F2ALDH1A1
SCHEMBL23752608 0.84 F2 (0.69) F2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6900319-B2 Thrombin inhibitors ABBOTT GMBH & CO. KG (DE) 2005-05-31 US disclosed
US-20020169318-A1 Novel thrombin inhibitors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2002-11-14 US disclosed
US-6444817-B1 ANTICOAGULANTS ABBOTT LABORATORIES 2002-09-03 US disclosed
US-6030972-A 2- OR 5-AMINOMETHYL,2- OR 5-CYANOPYRIMIDINES AS INTERMEDIATES OF ANTICOAGULANTS IN EXTRACORPOREAL CIRCULATION (HEART-LUNG MACHINE, HEMODIALYSIS) BASF AKTIENGESELLSCHAFT (DE) 2000-02-29 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-20020169318-A1 Novel thrombin inhibitors TFPI, SERPINC1, F11 F2 5/4885ALDH1A1 925/4885SMN1; SMN2 3026/4885

“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.