SCHEMBL13873125

SCHEMBL13873125

CC(C)(C)NC(=O)N1CCC(C(=O)NCc2ccncc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.66
▸ MAPK1 P28482 1/20 0.66
▸ SMN1; SMN2 Q16637 1/20 0.66
▸ NPSR1 Q6W5P4 2/20 0.58
▸ RAB9A P51151 1/20 0.53
▸ TSHR P16473 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ GLA P06280 1/20 0.51
▸ MAPT P10636 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ KMT2A Q03164 1/20 0.48

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
SCHEMBL14413270 0.86 ALDH1A1 (0.64) ALDH1A1MAPK1SMN1; SMN2NPSR1TSHR
SCHEMBL13873102 0.86 ALDH1A1 (0.66) ALDH1A1MAPK1NPSR1TSHRTDP1
SCHEMBL10250879 0.83 ALDH1A1 (0.65) ALDH1A1MAPK1SMN1; SMN2NPSR1RAB9A
SCHEMBL13061265 0.81 ALDH1A1 (0.62) ALDH1A1MAPK1SMN1; SMN2NPSR1TSHR
SCHEMBL4960188 0.79 MAPT (0.72) ALDH1A1MAPK1SMN1; SMN2NPSR1GLA
SCHEMBL13061271 0.79 ALDH1A1 (0.60) ALDH1A1MAPK1SMN1; SMN2NPSR1TSHR
SCHEMBL13873123 0.78 POLB (0.60) ALDH1A1MAPK1SMN1; SMN2NPSR1TSHR
SCHEMBL13873127 0.78 ALDH1A1 (0.55) ALDH1A1NPSR1TSHRLMNAKMT2A
SCHEMBL13006873 0.78 ALDH1A1 (0.58) ALDH1A1MAPK1SMN1; SMN2NPSR1TSHR
SCHEMBL389333 0.76 NAMPT (0.46) ALDH1A1MAPK1SMN1; SMN2RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090111791-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-30 — — US disclosed
US-20090111791-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-30 — — 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-20090111791-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same EPHX1, EPHX2, NCEH1 ALDH1A1 385/4885MAPK1 4561/4885SMN1; SMN2 4277/4885

“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.

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