SCHEMBL13060944

SCHEMBL13060944

CC[C@@H](CN(CC)C(=O)CCc1nn(Cc2ccc(OC)cc2)c2ccnc(OC)c12)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSPO P30536 2/20 0.36
LMNA P02545 3/20 0.36
PTGER4 P35408 2/20 0.36
ENPP2 Q13822 2/20 0.36
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
CSF1R P07333 1/20 0.35
FFAR1 O14842 1/20 0.34
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 1/20 0.34
BLM P54132 1/20 0.34
JAK2 O60674 1/20 0.34
APP P05067 1/20 0.34
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL13060928 0.82 LTB4R (0.36) TSPOLMNAPTGER4ENPP2CNR1
SCHEMBL414423 0.71 ALDH1A1 (0.49) LMNATSHRHPGDALDH1A1
SCHEMBL414422 0.71 ALDH1A1 (0.49) LMNATSHRHPGDALDH1A1
SCHEMBL444498 0.71 LMNA (0.45) LMNAPTGER4CNR1CNR2FFAR1
SCHEMBL19730012 0.68 LMNA (0.43) LMNAPTGER4CNR1CNR2CSF1R
SCHEMBL415781 0.68 CYP11B1 (0.47) LMNAPTGER4CNR1CNR2CSF1R
SCHEMBL31500890 0.67 CYP11B1 (0.45) LMNAPTGER4CNR1CNR2CSF1R
SCHEMBL19730107 0.67 CYP11B1 (0.45) LMNAPTGER4CNR1CNR2CSF1R
SCHEMBL13060933 0.66 MAPK1 (0.33) LMNATSHRHPGDMAPTBLM
SCHEMBL3771429 0.66 CNR1 (0.41) LMNAPTGER4CNR1CNR2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 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-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 TSPO 4299/4885LMNA 2870/4885PTGER4 1133/4885

“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.