SCHEMBL5866092

SCHEMBL5866092

N/N=C\c1ccc(CCSc2ccccc2N)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
TAAR1 Q96RJ0 1/20 0.39
CA1 P00915 6/20 0.38
CA2 P00918 6/20 0.38
CA9 Q16790 5/20 0.38
CA12 O43570 5/20 0.38
CA7 P43166 2/20 0.37
MAOB P27338 3/20 0.37
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
PTGS2 P35354 1/20 0.35
CA13 Q8N1Q1 1/20 0.35
MCL1 Q07820 1/20 0.35
BCL2A1 Q16548 1/20 0.35
MAOA P21397 2/20 0.34
HSD17B10 Q99714 1/20 0.34
GRIN1 Q05586 1/20 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
SCHEMBL5866098 1.00 POLB (0.45) POLBMEN1KMT2ATAAR1CA1
SCHEMBL5866204 0.76 ALDH1A1 (0.48) MEN1KMT2ACA1CA2CA9
SCHEMBL5866209 0.76 ALDH1A1 (0.48) MEN1KMT2ACA1CA2CA9
Hydrochloric Acid SCHEMBL5866348 0.75 ALDH1A1 (0.47) MEN1KMT2ACA1CA2CA9
SCHEMBL5866083 0.72 MAOB (0.61) POLBMEN1KMT2AMAOBMAPT
SCHEMBL5866192 0.71 ALDH1A1 (0.42) MEN1KMT2ACA1CA2CA9
SCHEMBL5866095 0.71 POLB (0.50) POLBMEN1KMT2ANPSR1PTGS2
SCHEMBL292217 0.70 MEN1 (0.62) POLBMEN1KMT2AMAPTNPSR1
SCHEMBL29351476 0.70 MEN1 (0.62) POLBMEN1KMT2AMAPTNPSR1
SCHEMBL7815094 0.69 MAOB (0.50) KMT2ATAAR1CA1CA2CA9

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 POLB 2611/4885MEN1 979/4885KMT2A 4593/4885

“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.