SCHEMBL18474437

SCHEMBL18474437

CSc1ccc(NC(=O)C2(C)CCNCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KHK P50053 1/20 0.51
▸ FPR2 P25090 5/20 0.44
▸ EPHX2 P34913 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ NOX1 Q9Y5S8 1/20 0.43
▸ MAPT P10636 3/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HDAC1 Q13547 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
SCHEMBL17269947 0.82 KHK (0.45) KHKLMNAMAPTHDAC1
SCHEMBL20224882 0.81 CYP1A2 (0.52) KHKEPHX2ALDH1A1LMNAMEN1
SCHEMBL17269902 0.78 TGM2 (0.47) KHKALDH1A1RAB9AHDAC1
SCHEMBL27760911 0.77 NPSR1 (0.56) KHKALDH1A1MAPTRAB9AMEN1
SCHEMBL31058163 0.73 KHK (0.43) KHKHDAC1
SCHEMBL17269941 0.73 GPR119 (0.54) EPHX2ALDH1A1MAPTMEN1KMT2A
SCHEMBL11428101 0.73 EPHX2 (0.52) FPR2EPHX2ALDH1A1LMNANOX1
SCHEMBL11427972 0.73 EPHX2 (0.52) FPR2EPHX2ALDH1A1LMNANOX1
SCHEMBL13696944 0.71 TDP1 (0.53) ALDH1A1LMNAMAPTRAB9ANPC1
SCHEMBL25775264 0.71 MAPT (0.53) EPHX2ALDH1A1LMNAMAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170037007-A1 SUBSTITUTED N-(2-(AMINO)-2OXOETHYL)BENZAMIDE INHIBITORS OF AUTOTAXIN AND THEIR PREPARATION AND USE IN THE TREATMENT OF LPA-DEPENDENT OR LPA-MEDIATED DISEASES X-RX, INC. 2017-02-09 — — 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-20170037007-A1 SUBSTITUTED N-(2-(AMINO)-2OXOETHYL)BENZAMIDE INHIBITORS OF AUTOTAXIN AND THEIR PREPARATION AND USE IN THE TREATMENT OF LPA-DEPENDENT OR LPA-MEDIATED DISEASES ENPP2, LPAR2, LPCAT3 KHK 4704/4885FPR2 155/4885EPHX2 99/4885

“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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