SCHEMBL4394702

SCHEMBL4394702

CCn1ccc2ccc(OBr)cc21

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.48
MTNR1B P49286 5/20 0.48
HTR2A P28223 2/20 0.48
HTR2C P28335 2/20 0.48
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
HTR7 P34969 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MCL1 Q07820 4/20 0.39
TRPV1 Q8NER1 1/20 0.38
HDAC8 Q9BY41 1/20 0.36

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
SCHEMBL4401260 0.86 KDM4E (0.53) MTNR1AMTNR1BHTR2AHTR2CMAPT
SCHEMBL980885 0.84 HTR2C (0.65) MTNR1AMTNR1BHTR2AHTR2CMAPT
SCHEMBL21335673 0.83 HTR2A (0.48) MTNR1AMTNR1BHTR2AHTR2CMAPT
SCHEMBL980725 0.79 MTNR1A (0.47) MTNR1AMTNR1BHTR2AHTR2CMAPT
SCHEMBL4404114 0.77 TUBB4A (0.42) MTNR1AMTNR1BHTR2AHTR2CMAPT
SCHEMBL4944128 0.77 HTR7 (0.52) HTR2AHTR2CHTR7
SCHEMBL10193356 0.74 HTR2C (0.62) MTNR1AMTNR1BHTR2AHTR2CHTR7
SCHEMBL4393136 0.73 MTNR1A (0.49) MTNR1AMTNR1BHTR2AHTR2CMAPT
SCHEMBL28264537 0.73 KDM4E (0.51) MTNR1AMTNR1BKDM4EMAOAMAOB
SCHEMBL3345985 0.73 PRKCI (0.44) MTNR1AMTNR1BHTR2AHTR2CMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7632954-B2 Sym-N-(n-hexyl)-5-bromotriindole; Sym-N-(n-hexyl)-5-phenyltriindole; Sym-N-(n-hexyl)-[2-cyano-2-(4-pyridyl)vinyl]triindole; electrification preventions, electrification controls, capacitors, batteries, chemical sensors, displays, organic EL materials, solar cells, photodiodes, phototransistors; fibers IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2009-12-15 US disclosed
US-20070191455-A1 Substituted sym-triindole IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2007-08-16 US disclosed
EP-1717239-A1 SUBSTITUTED SYM-TRIINDOLE Ihara Chemical Industry Co., Ltd. (JP) 2006-11-02 EP 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 (1 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-20070191455-A1 Substituted sym-triindole RTF1, ETF1, RTF2 MTNR1A 657/4885MTNR1B 2753/4885HTR2A 74/4885

“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.