SCHEMBL4028422

SCHEMBL4028422

COc1ccc(NC(=O)NC2CCCc3c2[nH]c2ccc(Br)cc32)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.50
MAPT P10636 4/20 0.49
ALOX15 P16050 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPK1 P28482 1/20 0.49
MALT1 Q9UDY8 5/20 0.49
KCNH2 Q12809 1/20 0.49
BRD3 Q15059 2/20 0.47
LMNA P02545 2/20 0.45
NPC1 O15118 1/20 0.45
DHODH Q02127 1/20 0.44
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
MEN1 O00255 1/20 0.42
GLA P06280 1/20 0.42
KMT2A Q03164 1/20 0.42
FPR1 P21462 1/20 0.42
FPR2 P25090 1/20 0.42
SIRT1 Q96EB6 2/20 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
SCHEMBL4024670 0.87 CYP2D6 (0.54) CYP2D6MAPTALOX15SMN1; SMN2MAPK1
SCHEMBL4025034 0.81 CYP2D6 (0.71) CYP2D6MAPTALOX15SMN1; SMN2MAPK1
SCHEMBL4023923 0.81 CYP2D6 (0.54) CYP2D6MAPTALOX15SMN1; SMN2MAPK1
SCHEMBL4172365 0.79 CYP2D6 (0.60) CYP2D6MAPTALOX15SMN1; SMN2MAPK1
SCHEMBL4024353 0.79 SIRT1 (0.52) CYP2D6MAPTALOX15SMN1; SMN2MAPK1
SCHEMBL4024328 0.78 CYP2D6 (0.57) CYP2D6MAPTALOX15SMN1; SMN2MAPK1
SCHEMBL4152166 0.77 CYP2D6 (0.61) CYP2D6MAPTALOX15SMN1; SMN2MAPK1
SCHEMBL4152213 0.77 BRD3 (0.75) CYP2D6MAPTALOX15SMN1; SMN2MAPK1
SCHEMBL5454761 0.76 MAPT (0.52) MAPTALOX15SMN1; SMN2MAPK1BRD3
SCHEMBL4028639 0.76 CYP2D6 (0.67) CYP2D6MAPTALOX15SMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1646610-B1 TETRAHYDROCARBAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM CORP (US) 2009-07-22 EP claimed
US-7419997-B2 Tetrahydrocarbazole derivatives and their pharmaceutical use SMITHKLINE BEECHAM CORPORATION (US) 2008-09-02 US claimed
US-20060148857-A1 Tetrahydrocarbazole derivatives and their pharmaceutical use SMITHKLINE BEECHAM CORPORATION 2006-07-06 US claimed
EP-1646610-B1 TETRAHYDROCARBAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM CORP (US) 2009-07-22 EP disclosed
EP-1646610-B1 TETRAHYDROCARBAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM CORP (US) 2009-07-22 EP disclosed
US-20090170906-A1 HCV INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-07-02 US disclosed
US-20090170906-A1 HCV INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-07-02 US disclosed
US-20090170906-A1 HCV INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-07-02 US disclosed
US-7419997-B2 Tetrahydrocarbazole derivatives and their pharmaceutical use SMITHKLINE BEECHAM CORPORATION (US) 2008-09-02 US disclosed
US-7419997-B2 Tetrahydrocarbazole derivatives and their pharmaceutical use SMITHKLINE BEECHAM CORPORATION (US) 2008-09-02 US disclosed
US-7419997-B2 Tetrahydrocarbazole derivatives and their pharmaceutical use SMITHKLINE BEECHAM CORPORATION (US) 2008-09-02 US disclosed
US-20060148857-A1 Tetrahydrocarbazole derivatives and their pharmaceutical use SMITHKLINE BEECHAM CORPORATION 2006-07-06 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 (2 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-20090170906-A1 HCV INHIBITORS HAVCR2, MAVS, EIF2AK2 CYP2D6 994/4885MAPT 1187/4885ALOX15 1407/4885
US-20060148857-A1 Tetrahydrocarbazole derivatives and their pharmaceutical use HMBS, UGT2B17, TPMT CYP2D6 660/4885MAPT 1102/4885ALOX15 939/4885

“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.