SCHEMBL12924604

SCHEMBL12924604

COc1cc(F)cc(-c2nnco2)c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 9/20 0.60
▸ MAPT P10636 2/20 0.55
▸ ALDH1A1 P00352 2/20 0.50
▸ HPGD P15428 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ TSHR P16473 2/20 0.46
▸ RAB9A P51151 4/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ TLR8 Q9NR97 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40

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
SCHEMBL12896192 0.83 NOTUM (0.49) NOTUMMAPTALDH1A1HPGDMAPK1
SCHEMBL1186047 0.75 NOTUM (1.00) NOTUMMAPTALDH1A1HPGDMAPK1
SCHEMBL12923857 0.75 NOTUM (0.62) NOTUMMAPTALDH1A1HPGDMAPK1
SCHEMBL13466849 0.75 NOTUM (0.57) NOTUMMAPTALDH1A1HPGDMAPK1
SCHEMBL12924848 0.74 NPC1 (0.49) MAPTALDH1A1HPGDTSHRRAB9A
SCHEMBL4581181 0.74 NOTUM (0.65) NOTUMMAPTALDH1A1HPGDMAPK1
SCHEMBL28273399 0.73 NOTUM (0.63) NOTUMMAPTALDH1A1HPGDMAPK1
SCHEMBL31296995 0.71 MAPT (1.00) NOTUMMAPTALDH1A1HPGDMAPK1
SCHEMBL22044476 0.71 KDM4E (0.55) MAPTALDH1A1RAB9ANPC1CYP1A2
SCHEMBL6386042 0.70 TLR8 (0.73) NOTUMMAPTALDH1A1HPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9149465-B2 Isoxazolines as inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2015-10-06 — — US disclosed
US-8927551-B2 Isoxazolines as inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2015-01-06 — — US disclosed
US-20110028482-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2011-02-03 — — US disclosed
US-20110028478-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2011-02-03 — — 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 (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-20110028478-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, HRH2 NOTUM 390/4885MAPT 3803/4885ALDH1A1 47/4885
US-20110028482-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, HRH2 NOTUM 390/4885MAPT 3803/4885ALDH1A1 47/4885

“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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