SCHEMBL6553017

SCHEMBL6553017

Oc1cccc(COc2ccccc2Cl)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.66
NPC1 O15118 5/20 0.66
RAB9A P51151 5/20 0.66
SMN1; SMN2 Q16637 5/20 0.66
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
TP53 P04637 2/20 0.66
MITF O75030 1/20 0.66
XBP1 P17861 1/20 0.66
NFKB1 P19838 1/20 0.66
NFKB2 Q00653 1/20 0.66
RELA Q04206 1/20 0.66
NPSR1 Q6W5P4 2/20 0.57
MAPT P10636 2/20 0.57
RXRA P19793 1/20 0.54
RXRB P28702 1/20 0.54
MRGPRX4 Q96LA9 9/20 0.53
ENPP2 Q13822 1/20 0.51
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL21945455 0.88 MRGPRX4 (0.67) HPGDNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL6357776 0.87 MRGPRX4 (0.53) HPGDNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL29434222 0.81 MEN1 (0.60) HPGDNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL5263840 0.81 MEN1 (0.60) HPGDNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL5469652 0.81 NPC1 (0.60) HPGDNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL3047774 0.81 HPGD (0.69) HPGDNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL2557998 0.81 NPC1 (0.59) HPGDNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL4508094 0.80 NPC1 (1.00) HPGDNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL12505430 0.79 APP (0.56) HPGDNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL3769260 0.79 HPGD (0.71) HPGDNPC1RAB9ASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10626095-B2 Cyanotriazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-04-21 US disclosed
EP-0883405-B1 AMIDINO PROTEASE INHIBITORS DIMENSIONAL PHARM INC (US) 2004-02-25 EP disclosed
US-6414020-B2 ANTIPROTEOLYTIC AMIDINO OR DERIVATIVE USEFUL FOR TREATING PENCREATITIS, THROMBOSIS, ISCHEMIA, STROKE, RESTENOSIS, EMPHYSEMA OR INFLAMMATION 3- DIMENSIONAL PHARMACEUTICALS, INC. 2002-07-02 US disclosed
US-20010025041-A1 Amidino protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2001-09-27 US disclosed
US-6281206-B1 AMIDINO AND BENZAMIDINO COMPOUNDS 3-DIMENSIONAL PHARMACEUTICALS, INC. 2001-08-28 US disclosed
US-6225302-B1 Amidino protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2001-05-01 US disclosed
US-6133315-A ADMINISTERING TO TREAT PANCREATITIS, THROMBOSIS, ISCHEMIA, STROKE, RESTENOSIS, EMPHYSEMA OR INFLAMMATION IN A MAMMAL; COMPOUNDS SUCH AS 2-CHLOROBENZENESULFONIC ACID 3-(3-AMIDINOPROPOXY)-5-METHYLPHENYL ESTER HYDROCHLORIDE 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-10-17 US disclosed
US-6034127-A CARDIOVASCULAR DISORDERS; RESPIRATORY SYSTEM DISORDERS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-03-07 US disclosed
EP-0883405-A4 AMIDINO PROTEASE INHIBITORS DIMENSIONAL PHARM INC (US) 1999-04-28 EP disclosed
EP-0883405-A1 AMIDINO PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1998-12-16 EP disclosed
WO-1997024135-A1 AMIDINO PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1997-07-10 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 (2 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-10626095-B2 Cyanotriazole compounds CS, PC, ACAT1 HPGD 2152/4885NPC1 1062/4885RAB9A 4775/4885
US-20010025041-A1 Amidino protease inhibitors CTRL, PEPD, PRSS3 HPGD 2174/4885NPC1 1246/4885RAB9A 440/4885

“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.