SCHEMBL444498

SCHEMBL444498

COc1ccc(Cn2nc(CCC(=O)O)c3c(Cl)nccc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
FFAR1 O14842 4/20 0.44
SLC22A12 Q96S37 2/20 0.40
GAA P10253 1/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
PTGER4 P35408 1/20 0.39
ALOX5 P09917 1/20 0.39
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
PDE10A Q9Y233 1/20 0.38
TP53 P04637 1/20 0.38
MDM2 Q00987 1/20 0.38

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
SCHEMBL415781 0.91 CYP11B1 (0.47) LMNACNR1CNR2PTGER4USP2
SCHEMBL19730012 0.87 LMNA (0.43) LMNAFFAR1SLC22A12GAACNR1
SCHEMBL3781866 0.80 JAK2 (0.49) LMNAFFAR1TSHR
SCHEMBL381249 0.80 ALDH1A1 (0.49) LMNAGAATSHRTP53
SCHEMBL381248 0.80 ALDH1A1 (0.49) LMNAGAATSHRTP53
SCHEMBL19730107 0.78 CYP11B1 (0.45) LMNACNR1CNR2PTGER4
SCHEMBL31500890 0.78 CYP11B1 (0.45) LMNACNR1CNR2PTGER4
SCHEMBL381505 0.78 CNR1 (0.46) LMNACNR1CNR2USP2
SCHEMBL31272944 0.77 CNR1 (0.45) LMNACNR1CNR2PTGER4
SCHEMBL883677 0.77 CNR1 (0.45) LMNACNR1CNR2PTGER4

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
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 US disclosed
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 US disclosed
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 US disclosed
EP-2408772-B1 COMPOUNDS MEDICAL RES COUNCIL TECHNOLOGY (GB) 2015-07-01 EP disclosed
EP-2408772-B1 COMPOUNDS MEDICAL RES COUNCIL TECHNOLOGY (GB) 2015-07-01 EP disclosed
EP-2408772-A1 COMPOUNDS Medical Research Council Technology (GB) 2012-01-25 EP disclosed
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 US disclosed
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 US disclosed
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 US disclosed
WO-2010106333-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-09-23 WO disclosed
WO-2010106333-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-09-23 WO 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 (2 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-20170320870-A1 COMPOUNDS CBR3, CNR1, HCAR3 LMNA 2925/4885FFAR1 261/4885SLC22A12 2745/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 LMNA 2870/4885FFAR1 269/4885SLC22A12 2764/4885

“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.