SCHEMBL2436892

SCHEMBL2436892

CCOC(=O)c1csc(-c2ccccn2)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.62
RAB9A P51151 9/20 0.56
NPC1 O15118 8/20 0.56
MAPT P10636 7/20 0.56
POLB P06746 1/20 0.56
PKM P14618 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
PDE10A Q9Y233 1/20 0.55
ALDH1A1 P00352 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
GAA P10253 2/20 0.53
CYP1A2 P05177 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
HSP90AA1 P07900 1/20 0.51
TLR7 Q9NYK1 1/20 0.49
CLK1 P49759 1/20 0.47
CYP2C19 P33261 1/20 0.47
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL31341038 1.00 LMNA (0.62) LMNARAB9ANPC1MAPTPOLB
SCHEMBL2549198 0.85 MAOA (0.59) LMNARAB9AMAPTPOLBPKM
SCHEMBL21664009 0.84 PDE10A (0.45) LMNARAB9ANPC1MAPTPOLB
SCHEMBL3435728 0.83 RAB9A (0.55) RAB9ANPC1MAPTPOLBPKM
SCHEMBL20646870 0.82 PDE10A (0.55) LMNARAB9ANPC1MAPTPKM
SCHEMBL2553489 0.82 HPGDS (0.61) LMNARAB9ANPC1MAPTPKM
SCHEMBL10054632 0.82 CDC7 (0.62) RAB9ANPC1MAPTPOLBPKM
SCHEMBL13144514 0.81 MAPT (0.70) RAB9ANPC1MAPTPOLBPKM
SCHEMBL2080725 0.81 RAB9A (0.68) LMNARAB9ANPC1MAPTPOLB
SCHEMBL21639201 0.81 RAB9A (0.55) RAB9ANPC1MAPTPOLBPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11319347-B2 Peptide compound and method for producing same, composition for screening use, and method for selecting peptide compound FUJIFILM CORPORATION (JP) 2022-05-03 US disclosed
US-20200040039-A1 PEPTIDE COMPOUND AND METHOD FOR PRODUCING SAME, COMPOSITION FOR SCREENING USE, AND METHOD FOR SELECTING PEPTIDE COMPOUND FUJIFILM CORPORATION (JP) 2020-02-06 US disclosed
US-20140194349-A1 HIV Protease Inhibiting Compounds ABBVIE INC. (US) 2014-07-10 US disclosed
EP-1697348-B1 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LAB (US) 2011-12-28 EP disclosed
EP-1697344-B1 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LAB (US) 2011-09-28 EP disclosed
EP-2266971-A2 Hiv protease inhibiting compounds Abbott Laboratories (US) 2010-12-29 EP disclosed
US-7834043-B2 Prevent reproduct of aids virus ABBOTT LABORATORIES (US) 2010-11-16 US disclosed
US-20100249181-A1 HIV Protease Inhibiting Compounds ABBOTT LABORATORIES (US) 2010-09-30 US disclosed
US-7696226-B2 HIV protease inhibiting compounds ABBOTT LABORATORIES (US) 2010-04-13 US disclosed
EP-1697344-A2 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 2006-09-06 EP disclosed
US-20050159469-A1 HIV protease inhibiting compounds ABBVIE INC. 2005-07-21 US disclosed
US-20050148623-A1 Prevent reproduct of aids virus ABBVIE INC. 2005-07-07 US disclosed
WO-2005058841-A2 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 2005-06-30 WO disclosed
US-20050131017-A1 HIV protease inhibiting compounds ABBOTT LABORATORIES 2005-06-16 US disclosed
US-6100404-A Erythromycin compounds HOECHST MARION ROUSSEL (FR) 2000-08-08 US disclosed
US-5635485-A Erythromycin compounds ROUSSEL UCLAF (FR) 1997-06-03 US 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 (7 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-20050148623-A1 Prevent reproduct of aids virus SERPINB1, PRSS1, SERPINA3 LMNA 3063/4885RAB9A 2076/4885NPC1 959/4885
US-20200040039-A1 PEPTIDE COMPOUND AND METHOD FOR PRODUCING SAME, COMPOSITION FOR SCREENING USE, AND METHOD FOR SELECTING PEPTIDE COMPOUND VIP, NPPA, NGLY1 LMNA 3026/4885RAB9A 2314/4885NPC1 209/4885
US-20050159469-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP LMNA 3100/4885RAB9A 2012/4885NPC1 569/4885
US-11319347-B2 Peptide compound and method for producing same, composition for screening use, and method for selecting peptide compound VIP, NPPA, NGLY1 LMNA 3026/4885RAB9A 2314/4885NPC1 209/4885
US-20050131017-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP LMNA 3100/4885RAB9A 2012/4885NPC1 569/4885
US-20100249181-A1 HIV Protease Inhibiting Compounds SERPINB1, HPN, DNPEP LMNA 3100/4885RAB9A 2012/4885NPC1 569/4885
US-20140194349-A1 HIV Protease Inhibiting Compounds SERPINB1, HPN, DNPEP LMNA 3100/4885RAB9A 2012/4885NPC1 569/4885

“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.