SCHEMBL2120980

SCHEMBL2120980

O=c1c2ccc(Br)cc2ccn1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.48
HSP90AB1 P08238 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ACHE P22303 1/20 0.43
EGLN1 Q9GZT9 3/20 0.43
ALDH1A1 P00352 2/20 0.43
ALDH2 P05091 1/20 0.43
ALDH3A1 P30838 1/20 0.43
DHPS P49366 1/20 0.42
CYP1A2 P05177 1/20 0.42
GAA P10253 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPC1 O15118 1/20 0.42
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
VEGFA P15692 1/20 0.41
IDO1 P14902 1/20 0.41

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
SCHEMBL31241086 0.88 PSMB1 (0.48) MAPK14MEN1KMT2AACHEEGLN1
SCHEMBL13392342 0.88 PSMB1 (0.48) MAPK14MEN1KMT2AACHEEGLN1
SCHEMBL582811 0.86 HSP90AB1 (0.61) HSP90AB1ACHEALDH1A1ALDH2ALDH3A1
SCHEMBL29779010 0.85 PLAU (0.47) MAPK14HSP90AB1KMT2AEGLN1ROCK2
SCHEMBL29136066 0.85 PLAU (0.47) MAPK14HSP90AB1KMT2AEGLN1ROCK2
SCHEMBL2422376 0.85 ALDH1A1 (0.46) EGLN1ALDH1A1
SCHEMBL29136019 0.85 KMT2A (0.45) KMT2AEGLN1ALDH1A1CYP2D6CYP2C9
SCHEMBL30656512 0.85 KMT2A (0.45) KMT2AEGLN1ALDH1A1CYP2D6CYP2C9
SCHEMBL582560 0.83 HSP90AB1 (0.53) HSP90AB1ACHEALDH1A1ALDH2ALDH3A1
SCHEMBL1571627 0.82 MAPT (0.52) ROCK2ROCK1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8802064-B2 Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2014-08-12 US disclosed
EP-2416660-B1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS INC (US) 2014-07-02 EP disclosed
US-20130345173-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2013-12-26 US disclosed
US-8546564-B2 Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2013-10-01 US disclosed
US-20120094957-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS INC. 2012-04-19 US disclosed
EP-0526402-B1 Heteroaryl substituted hydroxylamine derivatives as lipoxygenase inhibitors CIBA GEIGY AG (CH) 1998-01-21 EP disclosed
US-5350761-A Lipoxygenase inhibitors as antiinflammatory agents and antiallergens CIBA-GEIGY CORPORATION (US) 1994-09-27 US disclosed
US-5334600-A Lipoxygenase inhibitors CIBA-GEIGY CORPORATION (US) 1994-08-02 US disclosed
US-5260316-A Lipoxygenase inhibitor CIBA-GEIGY CORPORATION (US) 1993-11-09 US disclosed
EP-0526402-A1 Heteroaryl substituted hydroxylamine derivatives as lipoxygenase inhibitors CIBA-GEIGY AG (CH) 1993-02-03 EP 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-20130345173-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, FFAR3 MAPK14 4756/4885HSP90AB1 2269/4885MEN1 2773/4885
US-20120094957-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, FFAR3 MAPK14 4768/4885HSP90AB1 2735/4885MEN1 2772/4885

“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.