SCHEMBL1331012

SCHEMBL1331012

O=C(NCCc1ccccc1)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1.O=C(O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
CYP3A4 P08684 1/20 0.52
MAPT P10636 1/20 0.52
CYP2C9 P11712 1/20 0.52
RAB9A P51151 1/20 0.52
ALDH1A1 P00352 3/20 0.48
USP2 O75604 1/20 0.48
HDAC8 Q9BY41 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TAAR1 Q96RJ0 2/20 0.46
PRCP P42785 1/20 0.44
FKBP1A P62942 1/20 0.44

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
SCHEMBL3847878 0.97 TSHR (0.54) TSHRCYP3A4MAPTCYP2C9RAB9A
SCHEMBL3847871 0.97 TSHR (0.54) TSHRCYP3A4MAPTCYP2C9RAB9A
SCHEMBL3600148 0.88 SMN1; SMN2 (0.53) RAB9ASMN1; SMN2NPSR1
SCHEMBL3845188 0.88 SMN1; SMN2 (0.53) RAB9ASMN1; SMN2NPSR1
SCHEMBL3600152 0.88 SMN1; SMN2 (0.53) RAB9ASMN1; SMN2NPSR1
SCHEMBL11253251 0.81 ALDH1A1 (0.52) CYP3A4CYP2C9RAB9AALDH1A1SMN1; SMN2
SCHEMBL4387495 0.81 KDM4E (0.51) TSHRMAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL15743850 0.81 SMN1; SMN2 (0.48) RAB9AALDH1A1SMN1; SMN2
SCHEMBL8290690 0.81 SMN1; SMN2 (0.48) RAB9AALDH1A1SMN1; SMN2
SCHEMBL9377286 0.79 SMN1; SMN2 (0.47) RAB9AALDH1A1SMN1; SMN2HTTNPSR1

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-20110281845-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-11-17 US disclosed
US-7989441-B2 Organic compounds NOVARTIS AG (CH) 2011-08-02 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-20110281845-A1 ORGANIC COMPOUNDS XIAP, BAX, MCL1 TSHR 4844/4885CYP3A4 2815/4885MAPT 1519/4885

“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.