SCHEMBL4048302

SCHEMBL4048302

Cn1ncc2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 2/20 0.55
▸ HTR2C P28335 2/20 0.55
▸ EPHX2 P34913 5/20 0.55
▸ NPC1 O15118 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ ALOX12 P18054 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ MAOB P27338 3/20 0.53
▸ TRPV1 Q8NER1 1/20 0.52
▸ FLT3 P36888 1/20 0.51
▸ MAOA P21397 2/20 0.50
▸ BAZ1A Q9NRL2 1/20 0.50
▸ MTOR P42345 1/20 0.50
▸ ACHE P22303 1/20 0.50
▸ NOTUM Q6P988 1/20 0.49
▸ HSPA9 P38646 1/20 0.47
▸ NAMPT P43490 1/20 0.47
▸ DYRK3 O43781 1/20 0.47

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
SCHEMBL4922780 0.83 MAOB (0.59) HTR2AHTR2CEPHX2NPC1ALDH1A1
SCHEMBL22803948 0.80 HTR2B (0.59) HTR2CEPHX2NPC1MAPTRAB9A
SCHEMBL13106522 0.79 TRPM5 (0.54) NPC1MAPTRAB9ANOTUMFLT1
SCHEMBL16686040 0.78 NPC1 (0.63) NPC1ALDH1A1MAPTHPGDALOX12
SCHEMBL13106668 0.78 OXTR (0.54) ALDH1A1KIT
SCHEMBL25590678 0.77 MAOB (0.45) NPC1ALDH1A1MAPTHPGDALOX12
SCHEMBL4216606 0.76 FLT1 (0.56) HTR2AHTR2CEPHX2MAPTRAB9A
SCHEMBL29510910 0.75 NPC1 (0.78) NPC1ALDH1A1MAPTHPGDALOX12
SCHEMBL15248587 0.75 HTR2A (0.66) HTR2AHTR2CEPHX2
SCHEMBL15248591 0.75 HTR2A (0.60) HTR2AHTR2CEPHX2MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090082395-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2009-03-26 — — US claimed
US-20090082395-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2009-03-26 — — US disclosed
US-20090082395-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2009-03-26 — — US disclosed
US-20090082395-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2009-03-26 — — US disclosed
WO-2009035951-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. (US) 2009-03-19 — — WO disclosed
WO-2009035951-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. (US) 2009-03-19 — — 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-20090082395-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS EPHX1, EPHX2, LTA4H HTR2A 3619/4885HTR2C 3711/4885EPHX2 2/4885

“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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