SCHEMBL4163867

SCHEMBL4163867

CNC1CCCc2c1[nH]c1ccc(Br)cc21

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.70
KCNH2 Q12809 1/20 0.66
DHODH Q02127 1/20 0.58
BRD3 Q15059 4/20 0.52
GAA P10253 1/20 0.52
CASP6 P55212 1/20 0.52
MAPT P10636 4/20 0.51
ALOX15 P16050 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 1/20 0.51
GLA P06280 1/20 0.51
KMT2A Q03164 1/20 0.51
MAPK1 P28482 2/20 0.49
PRMT5 O14744 1/20 0.48
CDC42 P60953 1/20 0.47
RB1 P06400 5/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL16433474 0.89 CYP2D6 (0.56) CYP2D6KCNH2DHODHBRD3GAA
SCHEMBL21996157 0.88 CYP2D6 (0.79) CYP2D6KCNH2DHODHBRD3GAA
SCHEMBL22135864 0.86 CYP2D6 (0.70) CYP2D6KCNH2DHODHBRD3GAA
SCHEMBL21998619 0.84 RB1 (0.68) CYP2D6KCNH2DHODHBRD3GAA
SCHEMBL16433477 0.84 ALOX15 (0.71) DHODHBRD3GAACASP6MAPT
SCHEMBL25293517 0.84 CYP2D6 (0.72) CYP2D6KCNH2DHODHBRD3GAA
SCHEMBL4164646 0.84 CYP2D6 (0.63) CYP2D6KCNH2DHODHBRD3GAA
SCHEMBL4152213 0.84 BRD3 (0.75) CYP2D6KCNH2DHODHBRD3GAA
SCHEMBL30454869 0.84 CYP2D6 (0.72) CYP2D6KCNH2DHODHBRD3GAA
SCHEMBL25293518 0.84 CYP2D6 (0.72) CYP2D6KCNH2DHODHBRD3GAA

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-11458121-B2 Therapeutic compounds and methods to treat infection RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2022-10-04 US disclosed
US-20200155507-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2020-05-21 US disclosed
US-20200155507-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2020-05-21 US disclosed
WO-2019005841-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2019-01-03 WO 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-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
US-20090042866-A1 Tetrahydrocarbazoles as Active Agents for Inhibiting VEGF Production by Translational Control PTC THERAPEUTICS, INC. 2009-02-12 US disclosed
US-20090042866-A1 Tetrahydrocarbazoles as Active Agents for Inhibiting VEGF Production by Translational Control PTC THERAPEUTICS, INC. 2009-02-12 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 (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-11458121-B2 Therapeutic compounds and methods to treat infection ABCB11, SLC10A1, SLC47A1 CYP2D6 1059/4885KCNH2 1640/4885DHODH 1802/4885
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-20200155507-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION ABCB11, SLC10A1, SLC47A1 CYP2D6 1059/4885KCNH2 1640/4885DHODH 1802/4885
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.