SCHEMBL5866083

SCHEMBL5866083

N#Cc1ccc(CCSc2ccccc2N)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.61
MAOA P21397 3/20 0.61
POLB P06746 1/20 0.47
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
MAP2K2 P36507 2/20 0.41
MAP2K1 Q02750 2/20 0.41
KIF11 P52732 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KCNJ1 P48048 1/20 0.40
KCNH2 Q12809 1/20 0.40
CTSB P07858 1/20 0.39
IDO1 P14902 1/20 0.39

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
SCHEMBL6960019 0.74 MAOB (0.66) MAOBMAOALOXL2GAAKCNJ1
SCHEMBL5866122 0.74 MAOB (0.60) MAOBMAOACYP2C9LOXL2ALDH1A1
SCHEMBL21767083 0.73 MAOB (0.55) MAOBMAOALOXL2L3MBTL1KCNJ1
SCHEMBL5866095 0.73 POLB (0.50) POLBCYP3A4LOXL2MEN1KMT2A
SCHEMBL25547357 0.73 POLB (0.50) MAOBMAOAPOLBCYP1A2CYP3A4
SCHEMBL292217 0.72 MEN1 (0.62) POLBCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL29351476 0.72 MEN1 (0.62) POLBCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5866098 0.72 POLB (0.45) MAOBMAOAPOLBMEN1KMT2A
SCHEMBL5866092 0.72 POLB (0.45) MAOBMAOAPOLBMEN1KMT2A
SCHEMBL6957742 0.71 MAOB (0.61) MAOBMAOALOXL2KCNJ1KCNH2

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 6 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
EP-0917528-A1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS Astra Aktiebolag (SE) 1999-05-26 EP disclosed
WO-1998001422-A1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRA AKTIEBOLAG (SE) 1998-01-15 WO 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 MAOB 377/4885MAOA 1152/4885POLB 2611/4885

“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.