SCHEMBL18336161

SCHEMBL18336161

Cn1c(C(F)(F)F)nc2ccc(Br)nc2c1=O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AADAT Q8N5Z0 2/20 0.41
▸ CYP1A2 P05177 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ MAPT P10636 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ POLB P06746 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL18335903 0.81 MEN1 (0.36) AADATCYP1A2MAPTKDM4EALDH1A1
SCHEMBL18335769 0.78 PARG (0.39) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL18336468 0.74 AADAT (0.41) AADATCYP1A2MAPTKDM4EALDH1A1
SCHEMBL31278743 0.72 NFKB1 (0.35) AADATCYP1A2GLAALDH1A1MEN1
SCHEMBL18337338 0.70 AADAT (0.45) AADATPOLBMEN1KMT2A
SCHEMBL15520213 0.69 CYP1A2 (0.48) CYP1A2GLAMAPTKDM4EALDH1A1
SCHEMBL31657680 0.67 CYP1A2 (0.44) AADATCYP1A2GLAALDH1A1KMT2A
SCHEMBL15110814 0.67 MEN1 (0.44) MAPTALDH1A1MEN1KMT2A
SCHEMBL18336768 0.65 KDM4E (0.39) CYP1A2MAPTKDM4EALDH1A1POLB
SCHEMBL23527140 0.64 ALDH1A1 (0.34) KDM4EALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10065972-B2 Bicyclic or tricyclic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-09-04 — — US disclosed
EP-3135674-A1 NOVEL BICYCLIC OR TRICYCLIC HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2017-03-01 — — EP disclosed
US-20160376289-A1 NOVEL BICYCLIC OR TRICYCLIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-12-29 — — US disclosed
US-20160376289-A1 NOVEL BICYCLIC OR TRICYCLIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-12-29 — — 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 (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-20160376289-A1 NOVEL BICYCLIC OR TRICYCLIC HETEROCYCLIC COMPOUND CBR3, CBR1, CYCS AADAT 3986/4885CYP1A2 474/4885GLA 3796/4885
US-10065972-B2 Bicyclic or tricyclic heterocyclic compound CBR3, CBR1, CYCS AADAT 4071/4885CYP1A2 493/4885GLA 3622/4885

“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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