SCHEMBL4144553

SCHEMBL4144553

Brc1ccc2[nH]c3c(c2c1)CCCC3Nc1ncccn1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.71
KCNH2 Q12809 1/20 0.59
DHODH Q02127 2/20 0.55
MAPT P10636 4/20 0.46
ALOX15 P16050 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
GLA P06280 1/20 0.46
KMT2A Q03164 1/20 0.46
CDC42 P60953 1/20 0.45
RB1 P06400 4/20 0.44
BRD3 Q15059 3/20 0.44
MAPK1 P28482 2/20 0.44
GAA P10253 1/20 0.44
CASP6 P55212 1/20 0.44
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
PRMT5 O14744 1/20 0.41
CCNB2 O95067 1/20 0.41
CDK1 P06493 1/20 0.41

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
Hydrochloric Acid SCHEMBL4134770 0.99 CYP2D6 (0.70) CYP2D6KCNH2DHODHMAPTALOX15
SCHEMBL4150978 0.97 CYP2D6 (0.67) CYP2D6KCNH2DHODHMAPTALOX15
SCHEMBL4970226 0.88 CYP2D6 (0.71) CYP2D6KCNH2DHODHMAPTALOX15
Hydrochloric Acid SCHEMBL4142614 0.87 CYP2D6 (0.69) CYP2D6KCNH2DHODHMAPTALOX15
SCHEMBL4134717 0.86 DHODH (0.66) CYP2D6DHODHMAPTALOX15SMN1; SMN2
SCHEMBL4147416 0.86 GAA (0.60) CYP2D6KCNH2DHODHMAPTALOX15
SCHEMBL4150557 0.85 CYP2D6 (0.61) CYP2D6KCNH2DHODHMAPTALOX15
SCHEMBL13801187 0.84 CYP2D6 (0.65) CYP2D6KCNH2DHODHMAPTALOX15
SCHEMBL4143699 0.84 RB1 (0.62) CYP2D6KCNH2DHODHMAPTALOX15
SCHEMBL4139855 0.83 CYP2D6 (1.00) CYP2D6KCNH2DHODHMAPTALOX15

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1654228-B1 TETRAHYDROCARBAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM CORP (US) 2008-10-22 EP claimed
US-9271960-B2 Tetrahydrocarbazoles as active agents for inhibiting VEGF production by translational control PTC THERAPEUTICS, INC. (US) 2016-03-01 US disclosed
US-9271960-B2 Tetrahydrocarbazoles as active agents for inhibiting VEGF production by translational control PTC THERAPEUTICS, INC. (US) 2016-03-01 US disclosed
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-20150141418-A1 TETRAHYDROCARBAZOLES AS ACTIVE AGENTS FOR INHIBITING VEGF PRODUCTION BY TRANSLATIONAL CONTROL PTC THERAPEUTICS, INC. (US) 2015-05-21 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
US-8946444-B2 Tetrahydrocarbazoles as active agents for inhibiting VEGF production by translational control PTC THERAPEUTICS, INC. (US) 2015-02-03 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
US-20090042866-A1 Tetrahydrocarbazoles as Active Agents for Inhibiting VEGF Production by Translational Control PTC THERAPEUTICS, INC. 2009-02-12 US disclosed
EP-1654228-B1 TETRAHYDROCARBAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM CORP (US) 2008-10-22 EP disclosed
US-7351733-B2 Tetrahydrocarbazole derivatives and their pharmaceutical use SMITHKLINE BEECHAM CORPORATION (US) 2008-04-01 US disclosed
US-7351733-B2 Tetrahydrocarbazole derivatives and their pharmaceutical use SMITHKLINE BEECHAM CORPORATION (US) 2008-04-01 US disclosed
US-7351733-B2 Tetrahydrocarbazole derivatives and their pharmaceutical use SMITHKLINE BEECHAM CORPORATION (US) 2008-04-01 US disclosed
EP-1817025-A2 TETRAHYDROCARBAZOLES AS ACTIVE AGENTS FOR INHIBITING VEGF PRODUCTION BY TRANSLATIONAL CONTROL PTC Therapeutics, Inc. (US) 2007-08-15 EP disclosed
US-20060161002-A1 Tetrahydrocarbazole derivatives and their pharmaceutical use SMITHKLINE BEECHAM CORPORATION 2006-07-20 US disclosed
WO-2006065480-A2 TETRAHYDROCARBAZOLES AS ACTIVE AGENTS FOR INHIBITING VEGF PRODUCTION BY TRANSLATIONAL CONTROL PTC THERAPEUTICS, INC. (US) 2006-06-22 WO disclosed
EP-1654228-A1 TETRAHYDROCARBAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM CORPORATION (US) 2006-05-10 EP disclosed
WO-2004110999-A1 TETRAHYDROCARBAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM CORPORATION (US) 2004-12-23 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 (3 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-20060161002-A1 Tetrahydrocarbazole derivatives and their pharmaceutical use HMBS, UGT2B17, TPMT CYP2D6 660/4885KCNH2 4337/4885DHODH 62/4885
US-20090042866-A1 Tetrahydrocarbazoles as Active Agents for Inhibiting VEGF Production by Translational Control VEGFA, FLT4, KDR CYP2D6 4677/4885KCNH2 4634/4885DHODH 668/4885
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.