SCHEMBL15917343

SCHEMBL15917343

Cn1ccc(COc2ccc(Oc3ccc(-c4ccn[nH]4)cc3)cc2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.53
▸ RAB9A P51151 4/20 0.53
▸ CYP19A1 P11511 2/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ LTA4H P09960 6/20 0.51
▸ SCN4A P35499 4/20 0.51
▸ CYP4F2 P78329 3/20 0.45
▸ CYP4A11 Q02928 3/20 0.45
▸ NLRP3 Q96P20 1/20 0.44
▸ BRAF P15056 1/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PRKAB2 O43741 1/20 0.39
▸ PRKAG1 P54619 1/20 0.39
▸ PRKAA2 P54646 1/20 0.39
▸ PRKAA1 Q13131 1/20 0.39

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
SCHEMBL14653889 0.79 NPC1 (0.55) NPC1RAB9ACYP19A1CYP1A2CYP3A4
SCHEMBL15918266 0.77 LTA4H (0.56) NPC1RAB9ACYP19A1CYP1A2CYP3A4
SCHEMBL14639061 0.77 NPC1 (0.55) NPC1RAB9ACYP19A1CYP1A2CYP3A4
SCHEMBL14638974 0.76 LTA4H (0.59) NPC1RAB9ACYP19A1CYP1A2CYP3A4
SCHEMBL14638638 0.76 NPC1 (0.53) NPC1RAB9ACYP19A1CYP1A2CYP3A4
SCHEMBL14653756 0.75 LTA4H (0.54) NPC1RAB9ACYP19A1CYP1A2CYP3A4
SCHEMBL15918187 0.75 LTA4H (0.54) NPC1RAB9ACYP19A1CYP1A2CYP3A4
SCHEMBL15918006 0.75 LTA4H (0.65) NPC1RAB9ACYP19A1CYP1A2CYP3A4
SCHEMBL15917839 0.75 NPC1 (0.52) NPC1RAB9ACYP19A1CYP1A2CYP3A4
SCHEMBL16803313 0.74 NPC1 (0.76) NPC1RAB9ACYP19A1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139567-B2 Arylpyrazole ethers as inhibitors of leukotriene A4 hydrolase BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-09-22 — — US disclosed
US-9139567-B2 Arylpyrazole ethers as inhibitors of leukotriene A4 hydrolase BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-09-22 — — US disclosed
US-9139567-B2 Arylpyrazole ethers as inhibitors of leukotriene A4 hydrolase BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-09-22 — — US disclosed
EP-2734516-B1 ARYLPYRAZOLE ETHERS AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE BOEHRINGER INGELHEIM INT (DE) 2015-06-17 — — EP disclosed
EP-2734516-B1 ARYLPYRAZOLE ETHERS AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE BOEHRINGER INGELHEIM INT (DE) 2015-06-17 — — EP disclosed
US-20140221373-A1 ARYLPYRAZOLE ETHERS AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-08-07 — — US disclosed
US-20140221373-A1 ARYLPYRAZOLE ETHERS AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-08-07 — — US disclosed
US-20140221373-A1 ARYLPYRAZOLE ETHERS AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-08-07 — — 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-20140221373-A1 ARYLPYRAZOLE ETHERS AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTC4S, LTB4R NPC1 493/4885RAB9A 3716/4885CYP19A1 407/4885

“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.

Send feedback