SCHEMBL6421791

SCHEMBL6421791

O=S(=O)(c1cc2ccc(Cl)cc2[nH]1)N1CCNCC1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.57
MAPT P10636 1/20 0.54
F10 P00742 7/20 0.50
PKM P14618 2/20 0.46
AKR1B1 P15121 1/20 0.45
KDM1A O60341 1/20 0.44
CNR1 P21554 1/20 0.42
HRH4 Q9H3N8 2/20 0.41
KLK1 P06870 1/20 0.41
DAO P14920 1/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL4936109 0.89 USP2 (0.57) USP2MAPTF10PKMAKR1B1
Hydrochloric Acid SCHEMBL6728400 0.88 USP2 (0.56) USP2MAPTF10PKMAKR1B1
SCHEMBL8286894 0.81 PKM (0.56) USP2MAPTPKMAKR1B1CNR1
SCHEMBL5204276 0.75 PKM (0.73) USP2MAPTF10PKMKDM1A
SCHEMBL6421204 0.75 KDR (0.44) USP2MAPTF10PKMCNR1
Hydrochloric Acid SCHEMBL2267301 0.74 PKM (0.71) USP2MAPTF10PKMKDM1A
SCHEMBL1386482 0.74 F10 (0.45) F10AKR1B1CNR1KLK1DAO
SCHEMBL29060820 0.73 USP2 (1.00) USP2MAPTPKMCNR1POLB
SCHEMBL29244538 0.73 USP2 (0.77) USP2MAPTPKMALDH1A1
SCHEMBL6421733 0.72 F10 (0.71) F10HRH4KLK1ALDH1A1

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
EP-1528061-A1 Heterocyclic derivatives which inhibit factor Xa AstraZeneca AB (SE) 2005-05-04 EP disclosed
US-20040266759-A1 Heterocyclic derivatives which inhibit factor Xa ASTRAZENECA AB 2004-12-30 US disclosed
EP-1082321-B1 HETEROCYCLIC DERIVATIVES WHICH INHIBIT FACTOR XA ASTRAZENECA AB (SE) 2004-11-17 EP disclosed
US-6753331-B1 INDOL-2-YLSULPHONYL-4-(4-(HETEROCYCLE)BENZOYL)PIPERAZINE DERIVATIVES AS ANTICOAGULANTS ASTRAZENECA AB (SE) 2004-06-22 US disclosed
EP-1082321-A1 HETEROCYCLIC DERIVATIVES WHICH INHIBIT FACTOR XA AstraZeneca AB (SE) 2001-03-14 EP disclosed
WO-1999057113-A1 HETEROCYCLIC DERIVATIVES WHICH INHIBIT FACTOR XA ASTRAZENECA AB (SE) 1999-11-11 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-20040266759-A1 Heterocyclic derivatives which inhibit factor Xa F12, TFPI, F2 USP2 4211/4885MAPT 4850/4885F10 9/4885

“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.