SCHEMBL8313745

SCHEMBL8313745

Cc1cc2ccccc2cc1CO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SHBG P04278 1/20 0.41
CYP2A6 P11509 5/20 0.40
CYP1A2 P05177 2/20 0.40
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
CYP2D6 P10635 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KCNH2 Q12809 1/20 0.38
TSHR P16473 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37

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
SCHEMBL430273 0.83 PDE4A (0.46) MEN1KMT2ACYP2A6CYP1A2TDP1
SCHEMBL29583446 0.83 PDE4A (0.46) MEN1KMT2ACYP2A6CYP1A2TDP1
SCHEMBL806515 0.81 CYP2A6 (0.52) MEN1KMT2ASHBGCYP2A6CYP1A2
SCHEMBL7753295 0.79 CYP2A6 (0.46) KMT2ACYP2A6CYP1A2TDP1ALDH1A1
SCHEMBL3043085 0.78 PDE4A (0.48) MEN1KMT2ACYP2A6CYP1A2TDP1
SCHEMBL901034 0.78 PDE4A (0.48) MEN1KMT2ACYP2A6CYP1A2TDP1
SCHEMBL14472634 0.78 CYP2A6 (0.42) MEN1KMT2ASHBGCYP2A6TDP1
SCHEMBL14472704 0.78 CYP2A6 (0.42) MEN1KMT2ASHBGCYP2A6TDP1
SCHEMBL8148582 0.77 TAAR1 (0.40) CYP2A6CYP1A2TDP1SLC6A2SLC6A4
SCHEMBL1520850 0.77 TDP1 (0.41) CYP2A6CYP1A2TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1046528-A As the new naphthalane base-3H-1 of antihyperglycemic agents, 2,3,5-oxygen thia diazole 2-oxide compound AMERICAN HOME PROD (US) 1990-10-31 CN claimed
US-20170050964-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2017-02-23 US disclosed
US-20150210691-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-07-30 US disclosed
US-9090572-B2 Substituted quinoxalines compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-07-28 US disclosed
US-20140113892-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-04-24 US disclosed
US-8470854-B2 Lactam-containing compounds and derivatives thereof as factor XA inhibitors BRISTOL-MEYERS SQUIBB COMPANY (US) 2013-06-25 US disclosed
US-20100261758-A1 HETEROCYCLIC AMIDES FOR USE AS PHARMACEUTICALS NOVARTIS AG (CH) 2010-10-14 US disclosed
US-7312218-B2 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL MYERS SQUIBB CO. (US) 2007-12-25 US disclosed
US-7250415-B2 1,1-Disubstitutedcycloalkyl-, glycinamidyl-, sulfonyl-amidino-, and tetrahydropyrimidinyl-containing diaminoalkyl, β-aminoacids, α-aminoacids and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-31 US disclosed
US-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-14 US disclosed
US-7199149-B2 Monocyclic and bicyclic lactams as factor Xa inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2007-04-03 US disclosed
US-7169795-B2 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2007-01-30 US disclosed
US-7157470-B2 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-02 US disclosed
WO-2004083177-A2 LINEAR CHAIN SUBSTITUTED MONOCYCLIC AND BICYCLIC DERIVATIVES AS FACTOR XA INHIBITORS BRYSTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 WO disclosed
US-5298622-A Spiroindane opiate analogs REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1994-03-29 US disclosed
CN-1046528-A As the new naphthalane base-3H-1 of antihyperglycemic agents, 2,3,5-oxygen thia diazole 2-oxide compound AMERICAN HOME PROD (US) 1990-10-31 CN disclosed
EP-0393940-A1 Substituted and unsubstituted naphthalenyl-3H-1,2,3,5-oxthiadiazole 2-oxides AMERICAN HOME PRODUCTS CORPORATION (US) 1990-10-24 EP disclosed
EP-0393941-A1 Naphthalene derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1990-10-24 EP disclosed
US-4897405-A Novel naphthalenylalkyl-3H-1,2,3,5-oxathiadiazole 2-oxides useful as antihyperglycemic agents AMERICAN HOME PRODUCTS CORPORATION (US) 1990-01-30 US disclosed
US-4895861-A Novel naphthalenyl-3H-1,2,3,5-oxathiadiazole 2-oxides useful as antihyperglycemic agents AMERICAN HOME PRODUCTS CORPORATION (US) 1990-01-23 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 (5 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-20100261758-A1 HETEROCYCLIC AMIDES FOR USE AS PHARMACEUTICALS HRH4, CNR1, CNR2 MEN1 1499/4885KMT2A 1989/4885SHBG 3227/4885
US-20150210691-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 MEN1 320/4885KMT2A 3317/4885SHBG 1364/4885
US-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS F12, F2, PEPD MEN1 228/4885KMT2A 1997/4885SHBG 2768/4885
US-20170050964-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 MEN1 332/4885KMT2A 3291/4885SHBG 1386/4885
US-20140113892-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 MEN1 320/4885KMT2A 3317/4885SHBG 1364/4885

“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.