SCHEMBL3034306

SCHEMBL3034306

COc1ccc(C(C)=CBr)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 2/20 0.54
GPR183 P32249 5/20 0.47
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
KCNH2 Q12809 1/20 0.40
CYP2A6 P11509 2/20 0.38
MAPT P10636 2/20 0.38
OXTR P30559 1/20 0.38
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37

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
SCHEMBL3034304 1.00 NNMT (0.54) NNMTGPR183MKNK1MKNK2MAOA
SCHEMBL6447997 0.85 NNMT (0.58) NNMTGPR183MKNK1MKNK2MAOA
SCHEMBL25658653 0.82 NNMT (0.59) NNMTGPR183MKNK1MKNK2MAOA
SCHEMBL31503107 0.82 NNMT (0.54) NNMTGPR183MKNK1MKNK2MAOA
SCHEMBL1515192 0.79 NNMT (0.63) NNMTGPR183MKNK1MKNK2MAOA
SCHEMBL34467320 0.78 NNMT (0.58) NNMTGPR183MKNK1MKNK2MAOA
SCHEMBL34467450 0.77 NNMT (0.57) NNMTGPR183MKNK1MKNK2MAOA
SCHEMBL25477772 0.76 NNMT (0.59) NNMTGPR183MKNK1MKNK2MAOA
SCHEMBL105066 0.76 NNMT (0.70) NNMTGPR183MKNK1MKNK2MAOA
SCHEMBL2504480 0.76 HDAC1 (0.47) MAPTKDM4EMEN1KMT2ANPC1

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 6 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
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
US-20100216814-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. 2010-08-26 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 (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 NNMT 547/4885GPR183 301/4885MKNK1 2308/4885
US-20130190322-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES HTR3B, HTR3D, HTR3A NNMT 547/4885GPR183 301/4885MKNK1 2308/4885
US-20100216814-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES HTR3B, HTR3D, HTR3A NNMT 547/4885GPR183 301/4885MKNK1 2308/4885

“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.