SCHEMBL6921804

SCHEMBL6921804

C/C=C(\C)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
NPFFR2 Q9Y5X5 1/20 0.48
SRD5A2 P31213 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HPGD P15428 4/20 0.41
ATM Q13315 1/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL27910143 0.83 TSHR (0.47) TSHRNPFFR2SRD5A2MEN1KMT2A
SCHEMBL24247967 0.83 TSHR (0.44) TSHRNPFFR2KMT2ASMN1; SMN2GAA
SCHEMBL1120614 0.83 TSHR (0.47) TSHRNPFFR2SRD5A2MEN1KMT2A
SCHEMBL990762 0.83 TSHR (0.47) TSHRNPFFR2SRD5A2MEN1KMT2A
SCHEMBL14549178 0.79 TSHR (0.44) TSHRNPFFR2SRD5A2MEN1KMT2A
SCHEMBL12197983 0.79 TSHR (0.44) TSHRNPFFR2SRD5A2MEN1KMT2A
SCHEMBL9609545 0.79 TSHR (0.53) TSHRNPFFR2SRD5A2MEN1KMT2A
SCHEMBL9609533 0.79 TSHR (0.48) TSHRNPFFR2SRD5A2MEN1KMT2A
SCHEMBL8803664 0.78 TSHR (0.56) TSHRNPFFR2SRD5A2MEN1KMT2A
SCHEMBL6785533 0.78 TSHR (0.52) TSHRNPFFR2SRD5A2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9580425-B2 Pyrido[3,4-b] indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2017-02-28 US disclosed
US-20110245272-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2011-10-06 US disclosed
US-20110237582-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2011-09-29 US disclosed
WO-2011038162-A1 PYRIDO(3,4-B)INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2011-03-31 WO disclosed
WO-2011038161-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2011-03-31 WO disclosed
WO-2011038164-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2011-03-31 WO disclosed
WO-2011038163-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2011-03-31 WO disclosed
WO-2009120720-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES,INC. (US) 2009-10-01 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 (2 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-20110245272-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C TSHR 839/4885NPFFR2 258/4885SRD5A2 2998/4885
US-20110237582-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C TSHR 847/4885NPFFR2 255/4885SRD5A2 2898/4885

“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.