SCHEMBL16433451

SCHEMBL16433451

O=C(NC1CCCc2c1[nH]c1ccc(Br)cc21)c1ccc(Cc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.59
KCNH2 Q12809 1/20 0.55
DHODH Q02127 2/20 0.52
BRD3 Q15059 7/20 0.48
MAPT P10636 2/20 0.48
ALOX15 P16050 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPK1 P28482 1/20 0.48
CDC42 P60953 1/20 0.47
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.42
CASP6 P55212 1/20 0.42
CDKN1A P38936 1/20 0.41
MEN1 O00255 1/20 0.41
GLA P06280 1/20 0.41
SIRT1 Q96EB6 2/20 0.40

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
SCHEMBL4024141 0.91 CYP2D6 (0.67) CYP2D6KCNH2DHODHBRD3MAPT
SCHEMBL4021888 0.91 CYP2D6 (0.67) CYP2D6KCNH2DHODHBRD3MAPT
SCHEMBL4025938 0.91 CYP2D6 (0.67) CYP2D6KCNH2DHODHBRD3MAPT
SCHEMBL4167073 0.87 CYP2D6 (0.59) CYP2D6KCNH2DHODHBRD3MAPT
SCHEMBL21114861 0.85 BRD3 (0.64) CYP2D6KCNH2DHODHBRD3MAPT
SCHEMBL4025091 0.85 BRD3 (0.64) CYP2D6KCNH2DHODHBRD3MAPT
SCHEMBL4023041 0.85 CYP2D6 (0.65) CYP2D6KCNH2DHODHBRD3MAPT
SCHEMBL4027103 0.85 ALOX15 (0.64) CYP2D6KCNH2DHODHBRD3MAPT
SCHEMBL4026169 0.85 CYP2D6 (0.56) CYP2D6KCNH2DHODHBRD3MAPT
SCHEMBL4022199 0.83 CYP2D6 (0.54) CYP2D6KCNH2DHODHBRD3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9271960-B2 Tetrahydrocarbazoles as active agents for inhibiting VEGF production by translational control PTC THERAPEUTICS, INC. (US) 2016-03-01 US disclosed
US-20150141418-A1 TETRAHYDROCARBAZOLES AS ACTIVE AGENTS FOR INHIBITING VEGF PRODUCTION BY TRANSLATIONAL CONTROL PTC THERAPEUTICS, INC. (US) 2015-05-21 US disclosed
US-8946444-B2 Tetrahydrocarbazoles as active agents for inhibiting VEGF production by translational control PTC THERAPEUTICS, INC. (US) 2015-02-03 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-20150141418-A1 TETRAHYDROCARBAZOLES AS ACTIVE AGENTS FOR INHIBITING VEGF PRODUCTION BY TRANSLATIONAL CONTROL VEGFA, FLT4, KDR CYP2D6 4677/4885KCNH2 4634/4885DHODH 668/4885

“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.