SCHEMBL6018293

SCHEMBL6018293

COC(=O)[C@H](N)Cc1cccc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.50
CTNNB1 P35222 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
TDP1 Q9NUW8 3/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
SLC1A3 P43003 1/20 0.48
SLC1A2 P43004 1/20 0.48
SLC1A1 P43005 1/20 0.48
MMP9 P14780 2/20 0.47
TACR1 P25103 1/20 0.47
MTNR1A P48039 1/20 0.47
MAPK8 P45983 1/20 0.45
MAPK9 P45984 1/20 0.45
MAPK10 P53779 1/20 0.45
EPHX1 P07099 1/20 0.45

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
SCHEMBL1902233 1.00 ATM (0.50) ATMCTNNB1L3MBTL1TDP1KDM4E
Hydrochloric Acid SCHEMBL9632609 0.98 ATM (0.49) ATMCTNNB1L3MBTL1TDP1KDM4E
Hydrochloric Acid SCHEMBL9630734 0.98 ATM (0.49) ATMCTNNB1L3MBTL1TDP1KDM4E
Hydrochloric Acid SCHEMBL7066174 0.98 ATM (0.49) ATMCTNNB1L3MBTL1TDP1KDM4E
SCHEMBL8465002 0.87 KMT2A (0.50) CTNNB1L3MBTL1TDP1KDM4EALDH1A1
SCHEMBL7262986 0.87 KMT2A (0.50) CTNNB1L3MBTL1TDP1KDM4EALDH1A1
SCHEMBL3936305 0.87 KMT2A (0.50) CTNNB1L3MBTL1TDP1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL7257593 0.85 KMT2A (0.49) CTNNB1L3MBTL1TDP1KDM4EALDH1A1
SCHEMBL9848708 0.84 CTNNB1 (0.60) ATMCTNNB1L3MBTL1TDP1KDM4E
SCHEMBL7311918 0.84 CTSS (0.51) ATMCTNNB1L3MBTL1TDP1SLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118307428-B Chiral alpha unnatural amino acid and preparation method thereof by rare noble metal complex 北京元延医药科技股份有限公司 2025-01-10 CN disclosed
EP-1957644-B1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES NUEVOLUTION AS (DK) 2010-12-01 EP disclosed
US-7098215-B2 Nitrogenous compounds and antiviral drugs containing the same KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 2006-08-29 US disclosed
US-20040092556-A1 Nitrogenous compounds and antiviral drugs containing the same KUREHA CORPORATION (JP) 2004-05-13 US disclosed
US-6552043-B1 Useful as Calcitonin Gene-Related Peptide receptors; for therapy of migraine, pain, cardiovascular disorder, inflammation, diabetes, Reynaud's syndrome, peripheral arterial insufficiency, cranial hemorrhage and tumor MERCK SHARPE & DOHME LTD. (GB) 2003-04-22 US disclosed
EP-1273571-A1 NITROGENOUS COMPOUNDS AND ANTIVIRAL DRUGS CONTAINING THE SAME Kureha Chemical Industry Co., Ltd. (JP) 2003-01-08 EP disclosed
EP-1117662-A1 BENZIMIDAZOLINYL PIPERIDINES AS CGRP LIGANDS Merck Sharp & Dohme Limited (GB) 2001-07-25 EP disclosed
WO-2000018764-A1 BENZIMIDAZOLINYL PIPERIDINES AS CGRP LIGANDS MERCK SHARP & DOHME LIMITED (GB) 2000-04-06 WO disclosed
US-5140009-A Stable against proteolytic enzymes; anticarcinogenic agents; urogenital disorders TAP PHARMACEUTICALS, INC. (US) 1992-08-18 US disclosed
EP-0417454-A2 Reduced size LHRH analogs ABBOTT LABORATORIES (US) 1991-03-20 EP disclosed
EP-0328089-A2 Reduced size LHRH analogs ABBOTT LABORATORIES (US) 1989-08-16 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-20040092556-A1 Nitrogenous compounds and antiviral drugs containing the same NSUN2, ZC3HAV1L, PNP ATM 4758/4885CTNNB1 1208/4885L3MBTL1 2093/4885

“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.