SCHEMBL14964100

SCHEMBL14964100

N#CCc1c[nH]c2ccc(CO)cc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 3/20 0.63
SLC6A4 P31645 2/20 0.43
MPO P05164 1/20 0.43
HTR1A P08908 5/20 0.43
HTR1D P28221 4/20 0.43
HTR1B P28222 4/20 0.43
HTR2C P28335 2/20 0.43
IDO1 P14902 1/20 0.42
CYP2D6 P10635 2/20 0.39
GPR84 Q9NQS5 3/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
DRD1 P21728 1/20 0.39
HTR2A P28223 1/20 0.39
HTR1E P28566 1/20 0.39
HTR1F P30939 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
SCHEMBL14964102 0.88 CSNK2A1 (0.54) CSNK2A1SLC6A4MPOHTR2CGPR84
SCHEMBL2004780 0.81 CSNK2A1 (0.67) CSNK2A1SLC6A4HTR1AHTR1DHTR1B
SCHEMBL10552698 0.79 CSNK2A1 (0.53) CSNK2A1CYP2C9TSHR
SCHEMBL16675461 0.79 HTR2C (0.68) SLC6A4MPOHTR1AHTR1DHTR1B
SCHEMBL10494772 0.79 CSNK2A1 (0.56) CSNK2A1SLC6A4MPOHTR1AHTR1D
SCHEMBL28734818 0.79 MPO (0.51) CSNK2A1SLC6A4MPOHTR1AHTR1D
SCHEMBL446591 0.78 CSNK2A1 (0.67) CSNK2A1SLC6A4HTR1AHTR1DHTR1B
SCHEMBL2005588 0.78 CSNK2A1 (1.00) CSNK2A1SLC6A4MPOHTR1AHTR1D
SCHEMBL14970013 0.78 CSNK2A1 (0.67) CSNK2A1SLC6A4MPOHTR1AHTR1D
SCHEMBL274224 0.78 CSNK2A1 (0.67) CSNK2A1SLC6A4MPOHTR1AHTR1D

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-9212138-B2 Use of derivatives of indoles for the treatment of cancer COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2015-12-15 US disclosed
US-20140235654-A1 USE OF DERIVATIVES OF INDOLES FOR THE TREATMENT OF CANCER COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2014-08-21 US disclosed
US-20130131084-A1 USE OF DERIVATIVES OF INDOLES FOR THE TREATMENT OF CANCER CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-05-23 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 (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-20140235654-A1 USE OF DERIVATIVES OF INDOLES FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT CSNK2A1 455/4885SLC6A4 152/4885MPO 3911/4885
US-20130131084-A1 USE OF DERIVATIVES OF INDOLES FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT CSNK2A1 455/4885SLC6A4 152/4885MPO 3911/4885

“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.