SCHEMBL2851160

SCHEMBL2851160

Cc1cc(CN)ccc1NC(=O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 1/20 0.42
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ ABCC9 O60706 2/20 0.41
▸ ABCC8 Q09428 2/20 0.41
▸ KCNJ11 Q14654 2/20 0.41
▸ KCNJ8 Q15842 2/20 0.41
▸ GPR174 Q9BXC1 1/20 0.41
▸ PDK1 Q15118 1/20 0.40
▸ PDK2 Q15119 1/20 0.40
▸ PDK3 Q15120 1/20 0.40
▸ PDK4 Q16654 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ MAPT P10636 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 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
SCHEMBL12119025 0.81 CYP4A11 (0.40) NR1H4MEN1KMT2AABCC9ABCC8
SCHEMBL17506449 0.80 CYP1A2 (0.56) MEN1KMT2AABCC9ABCC8KCNJ11
SCHEMBL17666342 0.79 MEN1 (0.61) MEN1KMT2APDK1PDK2PDK3
SCHEMBL13322082 0.78 HPGD (0.53) NR1H4MEN1KMT2AGPR174CYP1A2
SCHEMBL15058961 0.78 ALDH1A1 (0.50) MEN1KMT2AABCC9ABCC8KCNJ11
SCHEMBL1310816 0.76 ABCC9 (0.44) MEN1KMT2AABCC9ABCC8KCNJ11
SCHEMBL746589 0.76 MAPT (0.52) MEN1KMT2AABCC9ABCC8KCNJ11
SCHEMBL16983107 0.76 MAPK1 (0.55) MEN1KMT2APDK1PDK2PDK3
SCHEMBL913000 0.75 ABCC9 (0.52) MEN1KMT2AABCC9ABCC8KCNJ11
SCHEMBL27447799 0.75 ABCC9 (0.56) NR1H4MEN1KMT2AABCC9ABCC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100130515-A1 Polymorphs and solvates of a pharmaceutical and method of making BIOGEN IDEC INC. (US) 2010-05-27 — — US disclosed
US-20100130515-A1 Polymorphs and solvates of a pharmaceutical and method of making BIOGEN IDEC INC. (US) 2010-05-27 — — US disclosed
EP-2117308-A1 POLYMORPHS AND SOLVATES OF A PHARMACEUTICAL AND METHODS OF MAKING Biogen Idec MA Inc. (US) 2009-11-18 — — EP disclosed
WO-2008086201-A1 POLYMORPHS AND SOLVATES OF A PHARMACEUTICAL AND METHODS OF MAKING BIOGEN IDEC MA INC. (US) 2008-07-17 — — WO disclosed
WO-2008086201-A1 POLYMORPHS AND SOLVATES OF A PHARMACEUTICAL AND METHODS OF MAKING BIOGEN IDEC MA INC. (US) 2008-07-17 — — 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-20100130515-A1 Polymorphs and solvates of a pharmaceutical and method of making CYP3A7, CYP2D6, CYP3A5 NR1H4 1685/4885MEN1 1598/4885KMT2A 3270/4885

“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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