SCHEMBL5866239

SCHEMBL5866239

Cc1cc(O)cc(OCCc2ccc(C=NN)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 6/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ SENP8 Q96LD8 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ SENP6 Q9GZR1 1/20 0.40
▸ CA1 P00915 3/20 0.37
▸ CA12 O43570 2/20 0.37
▸ CA9 Q16790 2/20 0.37
▸ CA4 P22748 1/20 0.37
▸ CA6 P23280 1/20 0.37
▸ CA5A P35218 1/20 0.37
▸ CA7 P43166 1/20 0.37
▸ CA14 Q9ULX7 1/20 0.37
▸ CA5B Q9Y2D0 1/20 0.37
▸ PPARA Q07869 2/20 0.36
▸ PPARG P37231 1/20 0.36
▸ PPARD Q03181 1/20 0.36

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
SCHEMBL5866233 1.00 F2 (0.41) F2NPC1CASP3RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL5866265 0.99 F2 (0.40) F2NPC1CASP3RAB9ASMN1; SMN2
SCHEMBL7424591 0.77 GAA (0.49) F2NPC1RAB9APPARAPPARD
SCHEMBL5866235 0.76 CACNA1B (0.53) F2
Hydrochloric Acid SCHEMBL5866267 0.75 CACNA1B (0.52) F2
SCHEMBL5866380 0.75 F2 (0.62) F2PPARAPPARGMEN1KMT2A
SCHEMBL5866388 0.75 F2 (0.62) F2PPARAPPARGMEN1KMT2A
SCHEMBL5866133 0.75 PPARD (0.48) F2RAB9APPARAPPARGPPARD
SCHEMBL5866366 0.74 F2 (0.48) F2
SCHEMBL5866377 0.74 F2 (0.48) F2

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-7074820-B2 Amidino derivatives and their use as thrombin inhibitors ASTRAZENECA AB (SE) 2006-07-11 — — US disclosed
EP-0917528-B1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRAZENECA AB (SE) 2002-09-18 — — EP disclosed
US-20020040043-A1 Amidino derivatives and their use as thrombin inhibitors ANTONSSON THOMAS (SE) 2002-04-04 — — US disclosed
US-6221898-B1 ANTICOAGULANTS ASTRA AKTIEBOLAG (SE) 2001-04-24 — — 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-20020040043-A1 Amidino derivatives and their use as thrombin inhibitors SERPINC1, F2, SERPINE1 F2 2/4885NPC1 2799/4885CASP3 266/4885

“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.

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