SCHEMBL4110409

SCHEMBL4110409

Nc1cccc(C(c2ccccc2)(c2ccccc2)N2CCCCC2=O)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
MAPK1 P28482 2/20 0.37
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 2/20 0.36
HSD17B10 Q99714 1/20 0.36
CCR2 P41597 1/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
KDM4E B2RXH2 2/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL31230458 0.87 ALDH1A1 (0.45) TSHRMAPK1ALDH1A1L3MBTL1MAPT
SCHEMBL8092347 0.82 HTT (0.41) TSHRALDH1A1L3MBTL1MAPTHSD17B10
SCHEMBL7921220 0.75 ITGB1 (0.37) ALDH1A1L3MBTL1MAPTHSD17B10DDB1
SCHEMBL2697747 0.71 CYP2B6 (0.53) TSHRMAPK1ALDH1A1L3MBTL1MAPT
SCHEMBL75924 0.68 HPGD (0.58) TSHRALDH1A1L3MBTL1MAPTDDB1
SCHEMBL12493670 0.67 HPGD (0.56) TSHRALDH1A1L3MBTL1MAPTDDB1
SCHEMBL2695770 0.66 CYP2B6 (0.50) TSHRALDH1A1L3MBTL1MAPTHSD17B10
Trifluoroacetic Acid SCHEMBL4972647 0.65 ALDH1A1 (0.57) TSHRALDH1A1L3MBTL1MAPTDDB1
SCHEMBL7463197 0.64 ALDH1A1 (0.41) TSHRMAPK1ALDH1A1L3MBTL1MAPT
SCHEMBL18910024 0.64 PER2 (0.42) TSHRMAPK1ALDH1A1KDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181942-A1 TRICYCLIC COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-07-16 US disclosed
EP-1939205-A1 TRICYCLIC COMPOUND Daiichi Sankyo Company, Limited (JP) 2008-07-02 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 (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-20090181942-A1 TRICYCLIC COMPOUNDS FDFT1, COASY, HMGCR TSHR 1672/4885MAPK1 3840/4885ALDH1A1 1587/4885

“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.