SCHEMBL935872

SCHEMBL935872

Cc1ccc(C=CBr)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 1/20 0.36
POLB P06746 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2A6 P11509 2/20 0.35
CYP2E1 P05181 1/20 0.35
CYP2B6 P20813 1/20 0.35
CYP2C19 P33261 1/20 0.35
HDAC1 Q13547 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC2 Q92769 1/20 0.34
ADRA2A P08913 2/20 0.34
ADRA2B P18089 2/20 0.34
ADRA2C P18825 2/20 0.34
GAA P10253 1/20 0.34
HDAC6 Q9UBN7 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
GRM5 P41594 1/20 0.33
ALOX5 P09917 1/20 0.33

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
SCHEMBL935871 1.00 PADI4 (0.36) PADI4POLBCTDSP1CYP1A2CYP2A6
SCHEMBL13320184 1.00 PADI4 (0.36) PADI4POLBCTDSP1CYP1A2CYP2A6
SCHEMBL13320211 0.86 GRM5 (0.31) GRM5
SCHEMBL10140981 0.83 HDAC1 (0.37) PADI4POLBCTDSP1CYP1A2CYP2A6
SCHEMBL14129688 0.83 NFE2L2 (0.50) POLBCYP1A2CYP2A6CYP2C19ALOX5
SCHEMBL13053141 0.81 CYP11B1 (0.55) CYP1A2CYP2C19HDAC6CYP11B1CYP11B2
SCHEMBL1120460 0.80 APLNR (0.43) PADI4POLBCTDSP1CYP1A2CYP2A6
SCHEMBL6920150 0.80 APLNR (0.43) PADI4POLBCTDSP1CYP1A2CYP2A6
SCHEMBL4303773 0.80 APLNR (0.43) PADI4POLBCTDSP1CYP1A2CYP2A6
SCHEMBL14129689 0.78 TUBB4A (0.33) PADI4POLBCTDSP1CYP1A2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9983218-B2 Indole and indoline derivatives and methods of use thereof ABBVIE INC. (US) 2018-05-29 US disclosed
US-20180024144-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF ABBVIE INC. (US) 2018-01-25 US disclosed
US-9625475-B2 Indole and indoline derivatives and methods of use thereof ABBVIE INC. (US) 2017-04-18 US disclosed
US-9458155-B2 Pyrido[4,3-b]indoles containing rigid moieties MEDIVATION TECHNOLOGIES, INC (US) 2016-10-04 US disclosed
US-20150353550-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF ABBVIE INC (US) 2015-12-10 US disclosed
US-9063126-B2 Indole and indoline derivatives and methods of use thereof ABBVIE INC. (US) 2015-06-23 US disclosed
CN-102271508-B Pyrido (4,3-b) indoles containing rigid moieties MEDIVATION TECHNOLOGIES INC 2015-04-29 CN disclosed
US-20150051218-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. 2015-02-19 US disclosed
US-8907097-B2 Pyrido[4,3-b]indoles containing rigid moieties MEDIVATION TECHNOLOGIES, INC. (US) 2014-12-09 US disclosed
US-8906925-B2 Pyrido[4,3-B]indoles containing rigid moieties MEDIVATION TECHNOLOGIES, INC. (US) 2014-12-09 US disclosed
EP-2346332-A1 PYRIDO (4,3-B) INDOLES CONTAINING RIGID MOIETIES Medivation Technologies, Inc. (US) 2011-07-27 EP disclosed
EP-2344505-A2 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF Abbott Laboratories (US) 2011-07-20 EP disclosed
WO-2011008312-A2 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-01-20 WO disclosed
US-20100249105-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-09-30 US disclosed
US-20100216814-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. 2010-08-26 US disclosed
US-20100125085-A1 PYRIDOINDOLE MODULATORS OF NMDA RECEPTOR AND ACETYLCHOLINESTERASE AUSPEX PHARMACEUTICALS, INC. (US) 2010-05-20 US disclosed
WO-2010057104-A2 PYRIDOINDOLE MODULATORS OF NMDA RECEPTOR AND ACETYLCHOLINESTERASE AUSPEX PHARMACEUTICALS, INC. (US) 2010-05-20 WO disclosed
WO-2010051501-A1 PYRIDO (4,3-B) INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. (US) 2010-05-06 WO disclosed
US-20100087471-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-04-08 US disclosed
WO-2010036998-A2 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-04-01 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 (7 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-20150051218-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES HTR3B, HTR3D, HTR3A PADI4 1987/4885POLB 4300/4885CTDSP1 4257/4885
US-20100249105-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 PADI4 475/4885POLB 3741/4885CTDSP1 3975/4885
US-20100216814-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES HTR3B, HTR3D, HTR3A PADI4 1987/4885POLB 4300/4885CTDSP1 4257/4885
US-20180024144-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 PADI4 475/4885POLB 3741/4885CTDSP1 3975/4885
US-20100087471-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 PADI4 475/4885POLB 3741/4885CTDSP1 3975/4885
US-20100125085-A1 PYRIDOINDOLE MODULATORS OF NMDA RECEPTOR AND ACETYLCHOLINESTERASE GRIN3A, GRIK5, CHRNA5 PADI4 1835/4885POLB 3541/4885CTDSP1 3736/4885
US-20150353550-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 PADI4 475/4885POLB 3741/4885CTDSP1 3975/4885

“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.