SCHEMBL4137781

SCHEMBL4137781

FC(F)(F)c1ccc(NC2CCCc3c2[nH]c2ccc(Br)cc32)nc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.59
KCNH2 Q12809 1/20 0.49
DHODH Q02127 2/20 0.45
BRD3 Q15059 8/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 3/20 0.41
ALOX15 P16050 2/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.39
CASP6 P55212 1/20 0.39
CDC42 P60953 1/20 0.38

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
SCHEMBL4150557 0.88 CYP2D6 (0.61) CYP2D6KCNH2DHODHBRD3SMN1; SMN2
SCHEMBL4151891 0.85 CYP2D6 (0.74) CYP2D6KCNH2DHODHBRD3SMN1; SMN2
SCHEMBL4142728 0.82 CYP2D6 (0.59) CYP2D6KCNH2DHODHBRD3SMN1; SMN2
SCHEMBL4970226 0.81 CYP2D6 (0.71) CYP2D6KCNH2DHODHBRD3SMN1; SMN2
SCHEMBL4164732 0.80 CYP2D6 (0.63) CYP2D6KCNH2DHODHBRD3SMN1; SMN2
Hydrochloric Acid SCHEMBL4142614 0.80 CYP2D6 (0.69) CYP2D6KCNH2DHODHBRD3SMN1; SMN2
SCHEMBL4022199 0.79 CYP2D6 (0.54) CYP2D6KCNH2DHODHBRD3SMN1; SMN2
SCHEMBL16433444 0.79 CYP2D6 (0.71) CYP2D6KCNH2DHODHBRD3SMN1; SMN2
SCHEMBL4144553 0.77 CYP2D6 (0.71) CYP2D6KCNH2DHODHBRD3SMN1; SMN2
SCHEMBL4165012 0.77 CYP2D6 (0.61) CYP2D6KCNH2BRD3SMN1; SMN2KMT2A

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 13 patents. 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-7351733-B2 Tetrahydrocarbazole derivatives and their pharmaceutical use SMITHKLINE BEECHAM CORPORATION (US) 2008-04-01 US claimed
US-20060161002-A1 Tetrahydrocarbazole derivatives and their pharmaceutical use SMITHKLINE BEECHAM CORPORATION 2006-07-20 US claimed
EP-1654228-A1 TETRAHYDROCARBAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM CORPORATION (US) 2006-05-10 EP claimed
WO-2004110999-A1 TETRAHYDROCARBAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM CORPORATION (US) 2004-12-23 WO claimed
US-20090156621-A1 HCV INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-06-18 US disclosed
US-20090156621-A1 HCV INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-06-18 US disclosed
US-20090156621-A1 HCV INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-06-18 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
US-20060161002-A1 Tetrahydrocarbazole derivatives and their pharmaceutical use SMITHKLINE BEECHAM CORPORATION 2006-07-20 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-20090156621-A1 HCV INHIBITORS HAVCR2, MAVS, EIF2AK2 CYP2D6 994/4885KCNH2 4356/4885DHODH 103/4885
US-20060161002-A1 Tetrahydrocarbazole derivatives and their pharmaceutical use HMBS, UGT2B17, TPMT CYP2D6 660/4885KCNH2 4337/4885DHODH 62/4885

“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.