SCHEMBL6037597

SCHEMBL6037597

CC(C(=O)O)c1cnccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
KDM4E B2RXH2 3/20 0.45
NAPRT Q6XQN6 1/20 0.45
HCAR2 Q8TDS4 1/20 0.45
ADORA3 P0DMS8 1/20 0.39
TSHR P16473 1/20 0.39
MC4R P32245 1/20 0.39
ADRA1A P35348 1/20 0.39
MC3R P41968 1/20 0.39
AKR1C3 P42330 2/20 0.38
AKR1C2 P52895 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
VNN1 O95497 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HPGDS O60760 1/20 0.36
MAPK1 P28482 1/20 0.35

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
SCHEMBL10484478 0.98 LMNA (0.50) LMNAKDM4ENAPRTHCAR2ADORA3
SCHEMBL11983421 0.88 LMNA (0.43) LMNAKDM4ENAPRTHCAR2ADORA3
SCHEMBL27557993 0.86 LMNA (0.44) LMNAKDM4ENAPRTHCAR2ADORA3
SCHEMBL1809910 0.82 LMNA (0.42) LMNAKDM4ENAPRTHCAR2ADORA3
SCHEMBL1838866 0.82 ADORA3 (0.47) LMNAKDM4ENAPRTHCAR2ADORA3
SCHEMBL4662149 0.81 PTGS2 (0.39) LMNAKDM4ETSHRAKR1C3AKR1C2
SCHEMBL1809911 0.80 LMNA (0.40) LMNAKDM4ENAPRTHCAR2ADORA3
SCHEMBL14776438 0.79 HPGDS (0.41) LMNAKDM4ENAPRTHCAR2ADORA3
SCHEMBL10387749 0.79 KDM4E (0.41) LMNAKDM4ENAPRTHCAR2ADORA3
SCHEMBL11678794 0.79 KDM4E (0.48) LMNAKDM4ENAPRTHCAR2ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3983382-A1 NOVEL NON-CODING HETEROCYCLIC AMINO ACIDS (NCHAA) AND THEIR USE AS HERBICIDES Fortephest Ltd. (IL) 2022-04-20 EP claimed
JP-11209351-A None JP disclosed
US-20060019900-A1 Alpha-4 beta-1 integrin ligands for imaging and therapy THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-01-26 US disclosed
JP-H11209351-A 2-PYRAZINYL-2-PROPENOIC ACID DERIVATIVE AND BACTERICIDAL AGENT FOR AGRICULTURE AND HORTICULTURE KUREHA CHEM IND CO LTD 1999-08-03 JP disclosed
EP-0369743-B1 Heterocyclic amides ZENECA LTD (GB) 1995-04-19 EP disclosed
EP-0369743-A2 Heterocyclic amides ZENECA LIMITED (GB) 1990-05-23 EP disclosed
US-4638005-A ELECTRON CARRIERS IN THE PHOTOENZYMATIC PRODUCTION OF HYDROGEN AND AMMONIA THE COCA-COLA COMPANY 1987-01-20 US disclosed
US-4046763-A INTERMEDIATE FOR ULTRAVIOLET LIGHT ABSORBERS MCNEIL LABORATORIES, INCORPORATED (US) 1977-09-06 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 (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-20060019900-A1 Alpha-4 beta-1 integrin ligands for imaging and therapy ITGA4, ITGB4, ITGA1 LMNA 2391/4885KDM4E 2971/4885NAPRT 2087/4885

“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.