SCHEMBL1827375

SCHEMBL1827375

CC(C)(C)c1ccc(N)c(C(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.57
KDM4E B2RXH2 3/20 0.57
GFER P55789 1/20 0.57
RXFP1 Q9HBX9 1/20 0.57
TDP1 Q9NUW8 3/20 0.56
MEN1 O00255 2/20 0.55
MAPT P10636 2/20 0.55
PKM P14618 2/20 0.55
RECQL P46063 2/20 0.55
USP2 O75604 1/20 0.55
POLB P06746 1/20 0.55
THRB P10828 1/20 0.55
APEX1 P27695 1/20 0.55
BLM P54132 1/20 0.55
MCL1 Q07820 1/20 0.55
GLA P06280 1/20 0.53
KEAP1 Q14145 1/20 0.53
ALDH1A1 P00352 4/20 0.52
CDC25B P30305 1/20 0.52
CASP6 P55212 1/20 0.52

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
SCHEMBL29671067 0.89 KDM4E (0.57) KMT2AKDM4EGFERRXFP1TDP1
SCHEMBL343185 0.89 KDM4E (0.57) KMT2AKDM4EGFERRXFP1TDP1
SCHEMBL2790842 0.86 KDM4E (0.70) KMT2AKDM4EGFERRXFP1TDP1
SCHEMBL105277 0.85 ALDH1A1 (0.68) KMT2AKDM4EGFERRXFP1TDP1
SCHEMBL2054594 0.85 ALDH1A1 (0.50) KMT2AKDM4EGFERRXFP1TDP1
SCHEMBL31273443 0.85 ALDH1A1 (0.68) KMT2AKDM4EGFERRXFP1TDP1
SCHEMBL5441710 0.84 KDM4E (0.61) KMT2AKDM4EGFERRXFP1TDP1
SCHEMBL5376427 0.82 KDM4E (0.50) KMT2AKDM4EGFERRXFP1TDP1
SCHEMBL2822430 0.82 MAPT (0.58) KMT2ATDP1MEN1MAPTPKM
SCHEMBL1356449 0.82 TDP1 (0.71) KDM4ETDP1ALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114621270-B Condensed ring aromatic compound and application thereof in electroluminescent device 清华大学 2024-04-12 CN disclosed
CN-114621269-B Condensed ring aromatic compound and application thereof in electroluminescent device 清华大学 2024-04-09 CN disclosed
CN-114621269-A Fused aromatic compound and application thereof in electroluminescent device 清华大学 2022-06-14 CN disclosed
CN-114621270-A Fused aromatic compound and application thereof in electroluminescent device 清华大学 2022-06-14 CN disclosed
US-8466295-B2 Thiophene derivatives as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-06-18 US disclosed
US-8410155-B2 Arylpropionamide, arylacrylamide, arylpropynamide, or arylmethylurea analogs as factor XIA inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-02 US disclosed
US-20120270853-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-10-25 US disclosed
US-8252830-B2 Arylpropionamide, arylacrylamide, arylpropynamide, or arylmethylurea analogs as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-08-28 US disclosed
US-8163749-B2 Six-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-24 US disclosed
EP-1981876-B1 TRIAZOLOANILINOPYRIMIDINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS ARROW THERAPEUTICS LTD (GB) 2011-05-04 EP disclosed
US-7626039-B2 Arylpropionamide, arylacrylamide, ayrlpropynamide, or arylmethylurea analogs as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-01 US disclosed
US-20090253766-A1 THIOPHENE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 US disclosed
US-20090253766-A1 THIOPHENE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 US disclosed
US-20090181983-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL -MEYERS SQUIBB COMPANY 2009-07-16 US disclosed
EP-1981876-A1 TRIAZOLOANILINOPYRIMIDINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS Arrow Therapeutics Limited (GB) 2008-10-22 EP disclosed
US-20080161373-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB CO. 2008-07-03 US disclosed
WO-2007080401-A1 TRIAZOLOANILINOPYRIMIDINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS ARROW THERAPEUTICS LIMITED (GB) 2007-07-19 WO disclosed
US-4673631-A OF AN AMINO ACID COMPOUND CANON KABUSHIKI KAISHA (JP) 1987-06-16 US disclosed
US-4131677-A Anti-inflammatory oxazolo [5,4-b]pyridines MERCK & CO., INC. (US) 1978-12-26 US disclosed
US-4038396-A ANTIPYRETICS, ANALGESICS MERCK & CO., INC. (US) 1977-07-26 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-20120270853-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 KMT2A 235/4885KDM4E 698/4885GFER 1781/4885
US-20080161373-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 KMT2A 235/4885KDM4E 698/4885GFER 1781/4885
US-20090253766-A1 THIOPHENE DERIVATIVES AS FACTOR XIA INHIBITORS TFPI, F12, F11 KMT2A 2659/4885KDM4E 1154/4885GFER 2101/4885
US-20090181983-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS TFPI, F11, F12 KMT2A 2045/4885KDM4E 1947/4885GFER 1792/4885

“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.