SCHEMBL4568008

SCHEMBL4568008

Cc1ccc(-c2c(-c3ccccc3)n(C)c3ccccc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
KMT2A Q03164 3/20 0.50
HSD17B10 Q99714 2/20 0.50
CYP2C19 P33261 1/20 0.50
HPGD P15428 1/20 0.49
L3MBTL1 Q9Y468 4/20 0.48
ATM Q13315 2/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP11B2 P19099 1/20 0.44
GPR3 P46089 1/20 0.44
NTRK1 P04629 1/20 0.43
POLB P06746 1/20 0.43
MAPK14 Q16539 1/20 0.43
HK1 P19367 1/20 0.43

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
SCHEMBL12296823 0.97 L3MBTL1 (0.50) ALDH1A1LMNASMN1; SMN2KMT2AHSD17B10
SCHEMBL822744 0.91 ALDH1A1 (0.59) ALDH1A1LMNASMN1; SMN2KMT2AHSD17B10
SCHEMBL12761668 0.86 L3MBTL1 (0.43) ALDH1A1LMNASMN1; SMN2KMT2AHSD17B10
SCHEMBL12761682 0.86 L3MBTL1 (0.43) ALDH1A1LMNASMN1; SMN2KMT2AHSD17B10
SCHEMBL12761678 0.85 L3MBTL1 (0.44) ALDH1A1LMNASMN1; SMN2KMT2AHSD17B10
SCHEMBL17883125 0.85 ALDH1A1 (0.50) ALDH1A1LMNASMN1; SMN2KMT2AHSD17B10
SCHEMBL7041520 0.85 HSD17B10 (0.56) ALDH1A1LMNASMN1; SMN2KMT2AHSD17B10
SCHEMBL12761674 0.85 L3MBTL1 (0.43) ALDH1A1LMNASMN1; SMN2KMT2AHSD17B10
SCHEMBL12761675 0.85 L3MBTL1 (0.43) ALDH1A1LMNASMN1; SMN2KMT2AHSD17B10
SCHEMBL12761691 0.84 NTRK1 (0.40) ALDH1A1LMNASMN1; SMN2KMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 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 (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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, LTB4R ALDH1A1 422/4885LMNA 4472/4885SMN1; SMN2 4661/4885

“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.