SCHEMBL6793698

SCHEMBL6793698

O=S(=O)(c1ccc2ccccc2c1)N1CCCNCC1

nearest known ligand 0.89

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKM P14618 6/20 0.89
MCOLN3 Q8TDD5 3/20 0.73
TSHR P16473 2/20 0.73
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
LMNA P02545 3/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
HTT P42858 1/20 0.63
PKLR P30613 1/20 0.56
AKR1C3 P42330 2/20 0.53
KDR P35968 1/20 0.53
HTR2C P28335 1/20 0.52
HTR2B P41595 1/20 0.52

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
Hydrochloric Acid SCHEMBL9780283 0.94 PKM (0.79) PKMMCOLN3TSHRMEN1KMT2A
SCHEMBL333988 0.94 PKM (1.00) PKMMCOLN3TSHRMEN1KMT2A
Hydrochloric Acid SCHEMBL932094 0.93 PKM (0.97) PKMMCOLN3TSHRMEN1KMT2A
SCHEMBL3169939 0.86 MCOLN3 (0.97) PKMMCOLN3TSHRMEN1KMT2A
Hydrochloric Acid SCHEMBL6195901 0.85 PKM (0.64) PKMMCOLN3TSHRMEN1KMT2A
SCHEMBL3814970 0.85 MCOLN3 (1.00) PKMMCOLN3TSHRMEN1KMT2A
SCHEMBL30821997 0.85 MCOLN3 (1.00) PKMMCOLN3TSHRMEN1KMT2A
SCHEMBL18134604 0.83 MCOLN3 (0.83) PKMMCOLN3TSHRMEN1KMT2A
SCHEMBL30754647 0.83 PKM (0.78) PKMMCOLN3TSHRMEN1KMT2A
SCHEMBL567535 0.83 PKM (0.61) PKMMCOLN3TSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6730672-B2 PROTEASE INHIBITOR ZENECA LIMITED (GB) 2004-05-04 US disclosed
US-20020119968-A1 Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents ZENECA LIMITED 2002-08-29 US disclosed
US-6225309-B1 Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents ZENECA LIMITED (GB) 2001-05-01 US disclosed
US-5965559-A STRONG INHIBITORY EFFECT AGAINST THE ACTIVATED COAGULATION PROTEASE KNOWN AS FACTOR XA; PREVENTION OF THE CLEAVAGE OF PROTHROMBIN TO THROMBIN; AMINO-SUBSTITUTED PYRIMIDINES AMIDINE GROUP-FREE ZENECA LIMITED (GB) 1999-10-12 US disclosed
EP-0783500-B1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LTD (GB) 1998-07-22 EP disclosed
EP-0783500-A1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LIMITED (GB) 1997-07-16 EP disclosed
WO-1996010022-A1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LIMITED (GB) 1996-04-04 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-20020119968-A1 Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents SERPINC1, F2, SULT1E1 PKM 4658/4885MCOLN3 1309/4885TSHR 333/4885

“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.