SCHEMBL2819692

SCHEMBL2819692

Cc1ccc(Cn2nncc2CO)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 2/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ HTT P42858 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ THRB P10828 1/20 0.43
▸ NPC1 O15118 2/20 0.40
▸ TP53 P04637 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ NAMPT P43490 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ IDO1 P14902 1/20 0.38
▸ TDO2 P48775 1/20 0.38
▸ CYP19A1 P11511 1/20 0.38
▸ CYP11B1 P15538 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38
▸ MAPT P10636 2/20 0.37

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
SCHEMBL6976502 0.84 NOTUM (0.46) HSD11B1HTTNPC1RAB9ATDO2
SCHEMBL4195851 0.82 HSD11B1 (0.61) HSD11B1HTTALDH1A1IDO1CYP19A1
SCHEMBL8865788 0.77 SMN1; SMN2 (0.41) SMN1; SMN2HTTALDH1A1NPC1TP53
SCHEMBL13151274 0.73 NPBWR1 (0.46) SMN1; SMN2ALDH1A1THRBNPC1LMNA
SCHEMBL6929093 0.71 CYP11B1 (0.66) SMN1; SMN2HTTTP53LMNAIDO1
SCHEMBL15874678 0.71 HSD11B1 (0.65) HSD11B1SMN1; SMN2ALDH1A1IDO1CYP19A1
SCHEMBL5656543 0.71 GGPS1 (0.36) HSD11B1ALDH1A1CYP1A2POLB
SCHEMBL23997232 0.70 LMNA (0.61) HSD11B1SMN1; SMN2HTTALDH1A1LMNA
SCHEMBL18359857 0.70 HSD11B1 (0.56) HSD11B1ALDH1A1TP53LMNAIDO1
SCHEMBL3098637 0.69 KMT2A (0.49) SMN1; SMN2HTTALDH1A1NPC1LMNA

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-20100184815-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-ALPHA MPM ASSET MANAGEMENT INVESTORS 2002 BVIII LLC 2010-07-22 — — US disclosed
WO-2010071813-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-α ARYX THERAPEUTICS, INC. (US) 2010-06-24 — — 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 (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-20100184815-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-ALPHA PPARA, PPARD, PPARG HSD11B1 182/4885SMN1; SMN2 4788/4885HTT 2259/4885

“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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