SCHEMBL308382

SCHEMBL308382

CC(Nc1cc(Cl)nc(N)n1)c1ccc2ccccc2c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.53
TPH1 P17752 9/20 0.53
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
HRH4 Q9H3N8 2/20 0.45
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
MMP9 P14780 1/20 0.41
UGT2B7 P16662 1/20 0.41

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
SCHEMBL17560919 0.86 NUDT1 (0.71) NUDT1SMN1; SMN2KMT2AHRH4POLB
SCHEMBL308850 0.78 TPH1 (0.54) NUDT1TPH1MMP9
SCHEMBL307720 0.78 TPH1 (0.54) NUDT1TPH1MMP9
SCHEMBL27894289 0.76 TPH1 (0.53) NUDT1TPH1HRH4MMP9
Ammonia Solution, Strong SCHEMBL308383 0.75 SMN1; SMN2 (0.48) SMN1; SMN2LMNAKMT2ACYP2D6UGT2B7
SCHEMBL17560838 0.75 NUDT1 (0.88) NUDT1TPH1HRH4GAACYP2D6
SCHEMBL20878223 0.75 NUDT1 (0.88) NUDT1TPH1HRH4GAACYP2D6
SCHEMBL4899755 0.74 HRH4 (0.50) NUDT1SMN1; SMN2KMT2AHRH4POLB
SCHEMBL29394574 0.74 HRH4 (0.50) NUDT1SMN1; SMN2KMT2AHRH4POLB
SCHEMBL135984 0.74 HRH4 (0.50) NUDT1SMN1; SMN2KMT2AHRH4POLB

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
US-20130137635-A1 TRYPTOPHAN HYDROXYLASE INHIBITORS FOR THE TREATMENT OF METASTATIC BONE DISEASE LEXICON PHARMACEUTICALS, INC. (US) 2013-05-30 US disclosed
US-8093291-B2 Methods of using and compositions comprising tryptophan hydroxylase inhibitors LEXICON PHARMACEUTICALS, INC. (US) 2012-01-10 US disclosed
US-7723345-B2 Multicyclic amino acid derivatives and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2010-05-25 US disclosed
US-20090005382-A1 METHODS OF USING AND COMPOSITIONS COMPRISING TRYPTOPHAN HYDROXYLASE INHIBITORS TERSERA THERAPEUTICS LLC 2009-01-01 US disclosed
US-20070191370-A1 Multicyclic amino acid derivatives and methods of their use TERSERA THERAPEUTICS LLC 2007-08-16 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-20070191370-A1 Multicyclic amino acid derivatives and methods of their use AADAT, HNMT, TPH1 NUDT1 865/4885TPH1 3/4885SMN1; SMN2 885/4885
US-20130137635-A1 TRYPTOPHAN HYDROXYLASE INHIBITORS FOR THE TREATMENT OF METASTATIC BONE DISEASE TPH1, TPH2, IDO1 NUDT1 1052/4885TPH1 1/4885SMN1; SMN2 3954/4885
US-20090005382-A1 METHODS OF USING AND COMPOSITIONS COMPRISING TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, MAOB NUDT1 222/4885TPH1 1/4885SMN1; SMN2 3030/4885

“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.