SCHEMBL4153830

SCHEMBL4153830

NC1CCCCc2c1[nH]c1ccc(Br)cc21

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.58
DHODH Q02127 1/20 0.57
MAPT P10636 2/20 0.54
KCNH2 Q12809 1/20 0.50
HSD17B10 Q99714 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
MAPK1 P28482 1/20 0.49
SIRT1 Q96EB6 9/20 0.47
SIRT2 Q8IXJ6 3/20 0.47
CCNB2 O95067 1/20 0.45
CDK1 P06493 1/20 0.45
CCNB1 P14635 1/20 0.45
CCNB3 Q8WWL7 1/20 0.45
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
SIRT3 Q9NTG7 1/20 0.42
RECQL P46063 1/20 0.42

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 SCHEMBL4138356 0.99 CYP2D6 (0.57) CYP2D6DHODHMAPTKCNH2HSD17B10
SCHEMBL22118712 0.96 CYP2D6 (0.63) CYP2D6DHODHMAPTKCNH2HSD17B10
SCHEMBL4022209 0.96 CYP2D6 (0.63) CYP2D6DHODHMAPTKCNH2HSD17B10
Hydrochloric Acid SCHEMBL15264958 0.94 CYP2D6 (0.62) CYP2D6DHODHMAPTKCNH2HSD17B10
SCHEMBL22529398 0.90 CYP2D6 (0.55) CYP2D6DHODHMAPTKCNH2HSD17B10
SCHEMBL4160214 0.84 CYP2D6 (0.50) CYP2D6DHODHMAPTKCNH2HSD17B10
SCHEMBL15445321 0.80 SIRT1 (0.57) CYP2D6DHODHMAPTKCNH2SIRT1
SCHEMBL15451341 0.80 SIRT1 (0.74) CYP2D6DHODHSIRT1SIRT2SIRT3
SCHEMBL16258989 0.79 BRD3 (0.60) CYP2D6HSD17B10ALDH1A1SIRT1SIRT2
SCHEMBL22856853 0.78 DHODH (0.62) CYP2D6DHODHMAPTKCNH2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11845742-B2 Therapeutic compounds and methods to treat infection RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2023-12-19 US disclosed
US-20200325124-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2020-10-15 US disclosed
US-20200325124-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2020-10-15 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
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
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
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 (4 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-20200325124-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION ABCB11, SLC47A1, SLC47A2 CYP2D6 1458/4885DHODH 2499/4885MAPT 4489/4885
US-20090156621-A1 HCV INHIBITORS HAVCR2, MAVS, EIF2AK2 CYP2D6 994/4885DHODH 103/4885MAPT 1187/4885
US-20060161002-A1 Tetrahydrocarbazole derivatives and their pharmaceutical use HMBS, UGT2B17, TPMT CYP2D6 660/4885DHODH 62/4885MAPT 1102/4885
US-11845742-B2 Therapeutic compounds and methods to treat infection ABCB11, SLC47A1, SLC47A2 CYP2D6 1458/4885DHODH 2499/4885MAPT 4489/4885

“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.