SCHEMBL4083089

SCHEMBL4083089

Brc1c(OCCN2CCCCC2)ccc2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.64
MEN1 O00255 1/20 0.64
ALDH1A1 P00352 1/20 0.64
PKM P14618 1/20 0.64
KMT2A Q03164 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
RAB9A P51151 3/20 0.60
RXFP1 Q9HBX9 1/20 0.60
HRH3 Q9Y5N1 4/20 0.58
HTR2A P28223 2/20 0.58
HTR7 P34969 2/20 0.58
HTR6 P50406 2/20 0.58
TDP1 Q9NUW8 2/20 0.57
TSHR P16473 1/20 0.54
NPC1 O15118 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
HPGD P15428 1/20 0.53
CYP2C19 P33261 1/20 0.53

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
SCHEMBL14970486 0.82 HRH3 (0.81) MEN1KMT2AHRH3HTR2AHTR7
SCHEMBL227615 0.80 HRH3 (0.57) KDM4EALDH1A1HRH3HTR2AHTR7
SCHEMBL28727054 0.78 TDP1 (0.61) KDM4EMEN1ALDH1A1PKMKMT2A
Hydrochloric Acid SCHEMBL8642142 0.78 OPRK1 (0.55) KDM4EMEN1ALDH1A1PKMKMT2A
SCHEMBL10809522 0.78 SMN1; SMN2 (0.55) KDM4EMEN1ALDH1A1KMT2ARAB9A
SCHEMBL23515210 0.77 CRHBP (0.59) KDM4EALDH1A1HRH3HTR2AHTR7
SCHEMBL29625684 0.77 CRHBP (0.59) KDM4EALDH1A1HRH3HTR2AHTR7
SCHEMBL28727056 0.76 OPRK1 (0.59) KDM4EMEN1ALDH1A1PKMKMT2A
SCHEMBL30186240 0.76 TDP1 (0.55) HRH3HTR2AHTR7HTR6TDP1
SCHEMBL29625739 0.76 OPRK1 (0.59) KDM4EMEN1ALDH1A1PKMKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2065383-A1 Indazole compounds and methods of use thereof as protein kinase inhibitors Signal Pharmaceuticals, Inc. (US) 2009-06-03 EP disclosed
US-20090099178-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF BHAGWAT SHRIPAD S 2009-04-16 US disclosed
EP-1692128-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF AS PROTEIN KINASE INHIBITORS Signal Pharmaceuticals LLC (US) 2006-08-23 EP disclosed
US-20060004043-A1 Indazole compounds and methods of use thereof BHAGWAT SHRIPAD S 2006-01-05 US disclosed
WO-2005051942-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF AS PROTEIN KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2005-06-09 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-20090099178-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF WNT3, WNT3A, WNK3 KDM4E 3468/4885MEN1 1513/4885ALDH1A1 3165/4885
US-20060004043-A1 Indazole compounds and methods of use thereof WNT3, WNT3A, WNK3 KDM4E 3359/4885MEN1 1519/4885ALDH1A1 3055/4885

“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.