SCHEMBL1831948

SCHEMBL1831948

[O-][N+]1(Cc2ccccc2)CCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.41
CYP2D6 P10635 1/20 0.39
CALM1 P0DP23 1/20 0.36
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
TSHR P16473 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
IDO1 P14902 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
TP53 P04637 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
TRPA1 O75762 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SLC6A3 Q01959 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GBA1 P04062 1/20 0.32

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
SCHEMBL11846749 0.95 HIF1A (0.41) HIF1ACYP2D6CALM1CES2CES1
SCHEMBL596253 0.93 HIF1A (0.39) HIF1ACYP2D6CALM1CES2CES1
SCHEMBL1702299 0.81 HIF1A (0.37) HIF1ACYP2D6CALM1TSHRSIGMAR1
SCHEMBL6926932 0.81 SIGMAR1 (0.46) HIF1ACYP2D6TSHRSIGMAR1ALDH1A1
SCHEMBL3540309 0.80 MEN1 (0.35) HIF1ACYP2D6CHRNB2CHRNA4CHRNB4
SCHEMBL6280980 0.79 HIF1A (0.36) HIF1ACYP2D6CALM1CES2CES1
Hydrochloric Acid SCHEMBL10944858 0.79 SIGMAR1 (0.44) HIF1ATSHRSIGMAR1ALDH1A1SLC6A3
SCHEMBL8914673 0.78 MEN1 (0.41) HIF1ACHRNB2CHRNA4ALDH1A1MEN1
SCHEMBL10841967 0.77 SIGMAR1 (0.59) SIGMAR1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL10843617 0.75 SIGMAR1 (0.57) SIGMAR1KMT2A

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2318363-A1 HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS Nuevolution A/S (DK) 2011-05-11 EP claimed
WO-2009152824-A1 HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS NUEVOLUTION A/S (DK) 2009-12-23 WO claimed
US-20180340174-A1 METHOD FOR IDENTIFICATION OF MOLECULES WITH DESIRED CHARACTERISTICS NANOCORE APS (DK) 2018-11-29 US disclosed
EP-3218479-A1 METHOD FOR IDENTIFICATION OF MOLECULES WITH DESIRED CHARACTERISTICS Nanocore ApS (DK) 2017-09-20 EP disclosed
WO-2016074683-A1 METHOD FOR IDENTIFICATION OF MOLECULES WITH DESIRED CHARACTERISTICS LUNDORF PEDERSEN MATERIALS APS (DK) 2016-05-19 WO disclosed
US-20110230419-A1 IAP BINDING COMPOUNDS NUEVOLUTION A/S (DK) 2011-09-22 US disclosed
EP-2318363-A1 HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS Nuevolution A/S (DK) 2011-05-11 EP disclosed
WO-2009152824-A1 HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS NUEVOLUTION A/S (DK) 2009-12-23 WO disclosed
US-5393882-A Bicyclic β-lactam antibiotics ELI LILLY AND COMPANY (US) 1995-02-28 US disclosed
EP-0252744-B1 3-Beta-(3,4-disubstituted succinimido)azetidinones LILLY CO ELI (US) 1993-12-15 EP disclosed
US-5239068-A Bicyclic β-lactam antibiotics ELI LILLY AND COMPANY (US) 1993-08-24 US disclosed
EP-0232623-B1 1-CARBACEPHALOSPORIN ANTIBIOTICS ELI LILLY AND COMPANY (US) 1993-03-17 EP disclosed
US-5142039-A β-lactam antibiotics ELI LILLY AND COMPANY (US) 1992-08-25 US disclosed
US-4983732-A CEHMICAL INTERMEDIATES FOR BETA-LACTAM ANTIBIOTICS ELI LILLY AND COMPANY (US) 1991-01-08 US disclosed
US-4892942-A 1-CARBA (DETHIA)CEPHALOSPORINS ELI LILLY AND COMPANY (US) 1990-01-09 US disclosed
EP-0301877-A1 A method of deprotection of 3-amino azetidinones ELI LILLY AND COMPANY (US) 1989-02-01 EP disclosed
US-4791106-A 1-Carbacephalosporin antibiotics ELI LILLY AND COMPANY (US) 1988-12-13 US disclosed
US-4734498-A 3β-succinimidoazetidinones as chiral intermediates ELI LILLY AND COMPANY (US) 1988-03-29 US disclosed
EP-0252744-A2 3-Beta-(3,4-disubstituted succinimido)azetidinones ELI LILLY AND COMPANY (US) 1988-01-13 EP disclosed
EP-0232623-A1 1-Carbacephalosporin antibiotics ELI LILLY AND COMPANY (US) 1987-08-19 EP 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-20110230419-A1 IAP BINDING COMPOUNDS BIRC5, BIRC7, BIRC3 HIF1A 1517/4885CYP2D6 3267/4885CALM1 1628/4885

“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.