SCHEMBL5866263

SCHEMBL5866263

Cc1noc(C)c1S(=O)(=O)Nc1cccc(OCCc2ccc(C=NN)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
NR3C2 P08235 3/20 0.44
MAPT P10636 4/20 0.43
LMNA P02545 2/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PKM P14618 1/20 0.41
BRD4 O60885 2/20 0.41
BRD2 P25440 2/20 0.41
BRD3 Q15059 2/20 0.41
TSHR P16473 1/20 0.39
NR3C1 P04150 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
SCHEMBL5866256 1.00 ALDH1A1 (0.48) ALDH1A1NR3C2MAPTLMNAKMT2A
Hydrochloric Acid SCHEMBL5866324 0.99 ALDH1A1 (0.47) ALDH1A1NR3C2MAPTLMNAKMT2A
SCHEMBL5866258 0.84 ALDH1A1 (0.52) ALDH1A1NR3C2MAPTLMNAKMT2A
Hydrochloric Acid SCHEMBL5866331 0.83 ALDH1A1 (0.52) ALDH1A1NR3C2MAPTLMNAKMT2A
SCHEMBL5866237 0.80 F2 (0.53)
SCHEMBL5866241 0.80 F2 (0.53)
Hydrochloric Acid SCHEMBL5866103 0.79 F2 (0.52)
SCHEMBL5866290 0.79 F2 (0.56) ALDH1A1LMNASMN1; SMN2PKM
SCHEMBL5866295 0.79 F2 (0.56) ALDH1A1LMNASMN1; SMN2PKM
SCHEMBL5866334 0.79 ALDH1A1 (0.45) ALDH1A1MAPTLMNAKMT2ASMN1; SMN2

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 5 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 claimed
EP-0917528-B1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRAZENECA AB (SE) 2002-09-18 EP claimed
US-20020040043-A1 Amidino derivatives and their use as thrombin inhibitors ANTONSSON THOMAS (SE) 2002-04-04 US claimed
US-6221898-B1 ANTICOAGULANTS ASTRA AKTIEBOLAG (SE) 2001-04-24 US claimed
EP-0917528-B1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRAZENECA AB (SE) 2002-09-18 EP 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 ALDH1A1 4316/4885NR3C2 4272/4885MAPT 4726/4885

“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.