SCHEMBL14653755

SCHEMBL14653755

c1cc(-c2ccc(Oc3ccc(OCc4cn5ccsc5n4)cc3)cc2)[nH]n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 8/20 0.45
▸ NPC1 O15118 3/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ SCN4A P35499 3/20 0.45
▸ CYP1A2 P05177 2/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ CYP2D6 P10635 1/20 0.43
▸ CYP19A1 P11511 1/20 0.43
▸ CYP4F2 P78329 2/20 0.41
▸ CYP4A11 Q02928 2/20 0.41
▸ MAPT P10636 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 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
SCHEMBL14653881 0.80 NPC1 (0.59) LTA4HNPC1RAB9ASCN4ACYP1A2
SCHEMBL23657513 0.78 RAB9A (0.57) NPC1RAB9ACYP1A2CYP3A4CYP2C9
SCHEMBL15916915 0.73 LTA4H (0.55) LTA4HNPC1RAB9ASCN4ACYP1A2
SCHEMBL15917343 0.73 NPC1 (0.53) LTA4HNPC1RAB9ASCN4ACYP1A2
SCHEMBL14653756 0.72 LTA4H (0.54) LTA4HNPC1RAB9ASCN4ACYP1A2
SCHEMBL16838758 0.72 SMN1; SMN2 (0.60) NPC1RAB9ACYP1A2CYP3A4CYP2C9
SCHEMBL15918266 0.72 LTA4H (0.56) LTA4HNPC1RAB9ASCN4ACYP1A2
SCHEMBL14638974 0.71 LTA4H (0.59) LTA4HNPC1RAB9ASCN4ACYP1A2
SCHEMBL14638727 0.70 LTA4H (0.48) LTA4HNPC1RAB9ASCN4ACYP1A2
SCHEMBL15916913 0.70 LTA4H (0.54) LTA4HNPC1RAB9ASCN4ACYP1A2

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 9 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
WO-2013012844-A1 ARYLPYRAZOLE ETHERS AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-24 — — 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-20140221373-A1 ARYLPYRAZOLE ETHERS AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTC4S, LTB4R LTA4H 1/4885NPC1 493/4885RAB9A 3716/4885

“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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