SCHEMBL7876513

SCHEMBL7876513

O=C1NC(=O)C2(CCOc3ccccc32)N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.65
AKR1B10 O60218 1/20 0.65
MAPT P10636 1/20 0.65
AKR1A1 P14550 1/20 0.65
TSHR P16473 1/20 0.58
TDP1 Q9NUW8 1/20 0.58

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
SCHEMBL30297506 0.85 TSHR (0.55) AKR1B1AKR1B10MAPTAKR1A1TSHR
SCHEMBL11278275 0.82 AKR1B10 (0.66) AKR1B1AKR1B10MAPTAKR1A1
SCHEMBL7867894 0.79 AKR1B10 (0.80) AKR1B1AKR1B10MAPTAKR1A1
Sorbinil SCHEMBL48877 0.79 AKR1B10 (1.00) AKR1B1AKR1B10MAPTAKR1A1
SCHEMBL11342164 0.79 AKR1B1 (0.71) AKR1B1AKR1B10MAPTAKR1A1
SCHEMBL24697564 0.79 AKR1B1 (0.59) AKR1B1AKR1B10MAPTAKR1A1
SCHEMBL1982939 0.79 AKR1B10 (0.71) AKR1B1AKR1B10MAPTAKR1A1
SCHEMBL10921763 0.79 AKR1B1 (0.71) AKR1B1AKR1B10MAPTAKR1A1
SCHEMBL11349834 0.79 AKR1B10 (0.59) AKR1B1AKR1B10MAPTAKR1A1
Sorbinil SCHEMBL29599732 0.79 AKR1B10 (1.00) AKR1B1AKR1B10MAPTAKR1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10266532-B2 Tricyclic modulators of TNF signaling ABBVIE INC. (US) 2019-04-23 US disclosed
US-10266532-B2 Tricyclic modulators of TNF signaling ABBVIE INC. (US) 2019-04-23 US disclosed
US-20180193315-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC (US) 2018-07-12 US disclosed
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-06-28 US disclosed
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-06-28 US disclosed
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-06-28 US disclosed
US-20180071262-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC. (US) 2018-03-15 US disclosed
EP-3288939-A1 TRICYCLIC MODULATORS OF TNF SIGNALING AbbVie Inc. (US) 2018-03-07 EP disclosed
US-9856253-B2 Tricyclic modulators of TNF signaling ABBVIE, INC. (US) 2018-01-02 US disclosed
US-9856253-B2 Tricyclic modulators of TNF signaling ABBVIE, INC. (US) 2018-01-02 US disclosed
EP-0111387-A1 Regeneration of 6-fluoro-4-chromanone from by-products in the synthesis of sorbinil PFIZER INC. (US) 1984-06-20 EP disclosed
US-4431828-A Regeneration of 6-fluoro-4-chromanone from by-products in the synthesis of sorbinil PFIZER INC. (US) 1984-02-14 US disclosed
WO-1983003542-A1 HYDANTOIN THERAPEUTIC AGENTS ALCON LAB INC (US) 1983-10-27 WO disclosed
EP-0092386-A2 Hydantoin therapeutic agents ALCON LABORATORIES, INC. (US) 1983-10-26 EP disclosed
US-4282229-A FOR DIABETIC COMPLICATIONS PFIZER INC. (US) 1981-08-04 US disclosed
US-4258054-A ANTIDIABETIC PFIZER INC. (US) 1981-03-24 US disclosed
US-4210756-A Tetrahydroquinoline hydantoins for chronic diabetic complications PFIZER INC. (US) 1980-07-01 US disclosed
US-4209630-A ANTIDIABETIC AGENTS PFIZER INC. (US) 1980-06-24 US disclosed
US-4147795-A ENZYME INHIBITORS PFIZER INC. (US) 1979-04-03 US disclosed
US-4117230-A ANTIDIABETIC AGENTS PFIZER INC. (US) 1978-09-26 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 (4 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-10266532-B2 Tricyclic modulators of TNF signaling TNF, TNFRSF1A, CD40 AKR1B1 583/4885AKR1B10 775/4885MAPT 3059/4885
US-20180193315-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE KAT2B, HDAC1, KAT2A AKR1B1 69/4885AKR1B10 165/4885MAPT 715/4885
US-20180071262-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE KAT2B, HDAC1, HDAC9 AKR1B1 84/4885AKR1B10 236/4885MAPT 650/4885
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 AKR1B1 583/4885AKR1B10 775/4885MAPT 3059/4885

“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.