SCHEMBL2173428

SCHEMBL2173428

CC(=CBr)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.41
TSHR P16473 1/20 0.38
PTGS1 P23219 1/20 0.33
RAB9A P51151 1/20 0.33
TRPA1 O75762 1/20 0.31
HCAR1 Q9BXC0 1/20 0.31
GRN P28799 1/20 0.31
SORT1 Q99523 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL2190606 1.00 TPMT (0.41) TPMTTSHRPTGS1RAB9ATRPA1
SCHEMBL19493428 0.80 TPMT (0.44) TPMTTSHRPTGS1RAB9AHCAR1
SCHEMBL28197920 0.80 TPMT (0.44) TPMTTSHRPTGS1RAB9AHCAR1
SCHEMBL21783058 0.79 HTT (0.47) TSHRMEN1KMT2A
SCHEMBL991357 0.76 PTGS1 (0.50) TSHRPTGS1RAB9ATRPA1CYP3A4
SCHEMBL1120634 0.76 PTGS1 (0.50) TSHRPTGS1RAB9ATRPA1CYP3A4
SCHEMBL16795552 0.76 PTGS1 (0.50) TSHRPTGS1RAB9ATRPA1CYP3A4
SCHEMBL18143944 0.73 TPMT (0.38) TPMTTSHRPTGS1RAB9AGRN
SCHEMBL18144198 0.73 TPMT (0.38) TPMTTSHRPTGS1RAB9AGRN
SCHEMBL18143941 0.73 TPMT (0.38) TPMTTSHRPTGS1RAB9AGRN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9458155-B2 Pyrido[4,3-b]indoles containing rigid moieties MEDIVATION TECHNOLOGIES, INC (US) 2016-10-04 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
US-20130190322-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
EP-2346332-A1 PYRIDO (4,3-B) INDOLES CONTAINING RIGID MOIETIES Medivation Technologies, Inc. (US) 2011-07-27 EP disclosed
US-20100216814-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. 2010-08-26 US disclosed
WO-2010051501-A1 PYRIDO (4,3-B) INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. (US) 2010-05-06 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 (3 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 TPMT 165/4885TSHR 1922/4885PTGS1 2418/4885
US-20130190322-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES HTR3B, HTR3D, HTR3A TPMT 165/4885TSHR 1922/4885PTGS1 2418/4885
US-20100216814-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES HTR3B, HTR3D, HTR3A TPMT 165/4885TSHR 1922/4885PTGS1 2418/4885

“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.