SCHEMBL4162971

SCHEMBL4162971

NCC1CCCc2c1[nH]c1ccc(Br)cc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.58
CYP2D6 P10635 3/20 0.56
MAPT P10636 3/20 0.51
KCNH2 Q12809 1/20 0.51
LMNA P02545 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SIRT1 Q96EB6 8/20 0.44
HSD17B10 Q99714 1/20 0.44
SIRT2 Q8IXJ6 3/20 0.43
SIRT3 Q9NTG7 2/20 0.43
RECQL P46063 1/20 0.43
CCNB2 O95067 1/20 0.43
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
CCNB3 Q8WWL7 1/20 0.43
CDKN1A P38936 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
SCHEMBL4161153 0.86 DHODH (0.53) DHODHCYP2D6MAPTKCNH2LMNA
SCHEMBL20601982 0.84 DHODH (0.56) DHODHCYP2D6MAPTKCNH2LMNA
SCHEMBL3676864 0.84 SIRT1 (0.62) MAPTLMNAALDH1A1SIRT1SIRT2
SCHEMBL4022209 0.82 CYP2D6 (0.63) DHODHCYP2D6MAPTKCNH2LMNA
SCHEMBL22118712 0.82 CYP2D6 (0.63) DHODHCYP2D6MAPTKCNH2LMNA
Hydrochloric Acid SCHEMBL15264958 0.81 CYP2D6 (0.62) DHODHCYP2D6MAPTKCNH2LMNA
SCHEMBL20602019 0.80 DHODH (0.54) DHODHCYP2D6MAPTKCNH2LMNA
SCHEMBL22856853 0.79 DHODH (0.62) DHODHCYP2D6MAPTKCNH2LMNA
SCHEMBL4143065 0.79 BRD3 (0.64) DHODHCYP2D6MAPTKCNH2LMNA
SCHEMBL20615442 0.79 CYP2D6 (0.63) DHODHCYP2D6MAPTKCNH2MAPK1

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-8946444-B2 Tetrahydrocarbazoles as active agents for inhibiting VEGF production by translational control PTC THERAPEUTICS, INC. (US) 2015-02-03 US disclosed
EP-1781617-A4 ALPHA, BETA-UNSATURATED ESTERS AND ACIDS BY STEREOSELECTIVE DEHYDRATION JANSSEN PHARMACEUTICA NV (BE) 2009-06-24 EP disclosed
US-20090042866-A1 Tetrahydrocarbazoles as Active Agents for Inhibiting VEGF Production by Translational Control PTC THERAPEUTICS, INC. 2009-02-12 US disclosed
EP-1781617-A2 ALPHA, BETA-UNSATURATED ESTERS AND ACIDS BY STEREOSELECTIVE DEHYDRATION JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-09 EP disclosed
WO-2006004742-A2 α, β-UNSATURATED ESTERS AND ACIDS BY STEREOSELECTIVE DEHYDRATION JANSSEN PHARAMCEUTICA N.V. (BE) 2006-01-12 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-20090042866-A1 Tetrahydrocarbazoles as Active Agents for Inhibiting VEGF Production by Translational Control VEGFA, FLT4, KDR DHODH 668/4885CYP2D6 4677/4885MAPT 2774/4885

“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.