SCHEMBL3025018

SCHEMBL3025018

CC1(C)N=C(c2ccc(F)cc2)c2ccc([N+](=O)[O-])cc2O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GCGR P47871 1/20 0.38
MAPK14 Q16539 1/20 0.38
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
HSPB1 P04792 2/20 0.36
PTGS1 P23219 1/20 0.36
ALOX12 P18054 1/20 0.36
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.35
AR P10275 1/20 0.35

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
SCHEMBL3028123 0.88 MAPT (0.41) MAPTSMN1; SMN2RAB9ANPC1MEN1
SCHEMBL14666720 0.80 POLB (0.33) MEN1KMT2AALDH1A1POLB
SCHEMBL3027955 0.79 APP (0.34) MAPTSMN1; SMN2GCGRMAPK14RAB9A
SCHEMBL3032766 0.79 PTGS2 (0.37) MAPTPTGS1PTGS2
SCHEMBL3029825 0.77 PTGS2 (0.42) LMNAHTTPTGS1ALDH1A1L3MBTL1
SCHEMBL3012005 0.76 HSD17B10 (0.41) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL3025036 0.75 NR3C2 (0.48) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL14666664 0.74 MAPK13 (0.32) MAPTMAPK14MEN1KMT2AKDM4E
SCHEMBL15049786 0.73 MAOB (0.34) MAPTSMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL3026812 0.73 HSPB1 (0.37) MAPTSMN1; SMN2RAB9ANPC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2179994-B1 FUSED BICYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2013-06-26 EP disclosed
US-8410166-B2 Fused bicyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-04-02 US disclosed
US-8410166-B2 Fused bicyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-04-02 US disclosed
US-8410166-B2 Fused bicyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-04-02 US disclosed
US-20130029979-A1 FUSED BICYCLIC COMPOUND TAKAHASHI YOICHI (JP) 2013-01-31 US disclosed
US-20130029979-A1 FUSED BICYCLIC COMPOUND TAKAHASHI YOICHI (JP) 2013-01-31 US disclosed
US-8258131-B2 Fused bicyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-09-04 US disclosed
US-8258131-B2 Fused bicyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-09-04 US disclosed
US-20100204218-A1 FUSED BICYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-08-12 US disclosed
US-20100204218-A1 FUSED BICYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-08-12 US disclosed
EP-2179994-A1 FUSED BICYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2010-04-28 EP disclosed
EP-2179994-A1 FUSED BICYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2010-04-28 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-20130029979-A1 FUSED BICYCLIC COMPOUND NR3C2, NR3C1, MC2R MAPT 4234/4885SMN1; SMN2 4664/4885GCGR 45/4885
US-20100204218-A1 FUSED BICYCLIC COMPOUND NR3C2, NR3C1, MC2R MAPT 4323/4885SMN1; SMN2 4805/4885GCGR 83/4885

“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.