SCHEMBL309144

SCHEMBL309144

Cc1ccc(-c2ccccc2CNc2cnc(Br)cn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.43
MAPT P10636 5/20 0.43
ALDH1A1 P00352 4/20 0.43
HTT P42858 1/20 0.43
TPH1 P17752 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ATM Q13315 1/20 0.40
NPC1 O15118 2/20 0.40
PKM P14618 2/20 0.40
RAB9A P51151 2/20 0.40
BRD4 O60885 1/20 0.39
BRD9 Q9H8M2 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL3274402 0.89 HDAC3 (0.51) SMN1; SMN2MAPTALDH1A1TPH1HDAC3
SCHEMBL308835 0.72 TPH1 (0.52) SMN1; SMN2ALDH1A1TPH1HDAC3HDAC1
SCHEMBL308480 0.71 TPH1 (0.83) TPH1PDCD1CD274
SCHEMBL308479 0.71 TPH1 (0.83) TPH1PDCD1CD274
SCHEMBL22191398 0.70 ALDH1A1 (0.57) SMN1; SMN2ALDH1A1HDAC3HDAC1HDAC2
SCHEMBL8281063 0.70 LTA4H (0.50) MAPTBRD4BRD9KDM4EPDCD1
SCHEMBL13115741 0.66 MAP4K4 (0.49) SMN1; SMN2MAPTALDH1A1HTTATM
SCHEMBL712947 0.66 HTR7 (0.44) SMN1; SMN2MAPTALDH1A1HTTNPC1
SCHEMBL3274458 0.66 AKT1 (0.45) TPH1HDAC3HDAC1HDAC2HDAC6
SCHEMBL307796 0.66 ALDH1A1 (0.44) SMN1; SMN2MAPTALDH1A1HTTATM

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2386547-B1 Multicyclic amino acid derivatives and methods of their use LEXICON PHARMACEUTICALS INC (US) 2018-06-20 EP disclosed
US-8629156-B2 Tryptophan hydroxylase inhibitors LEXICON PHARMACEUTICALS, INC. (US) 2014-01-14 US disclosed
US-20130274261-A1 METHODS FOR TREATING PULMONARY HYPERTENSION LEXICON PHARMACEUTICALS, INC. 2013-10-17 US disclosed
US-20130137635-A1 TRYPTOPHAN HYDROXYLASE INHIBITORS FOR THE TREATMENT OF METASTATIC BONE DISEASE LEXICON PHARMACEUTICALS, INC. (US) 2013-05-30 US disclosed
US-8410121-B2 Methods of treating pulmonary hypertension LEXICON PHARMACEUTICALS, INC. (US) 2013-04-02 US disclosed
EP-2533778-A1 TRYPTOPHAN HYDROXYLASE INHIBITORS FOR THE TREATMENT OF METASTATIC BONE DISEASE Lexicon Pharmaceuticals, Inc. (US) 2012-12-19 EP disclosed
US-20120316171-A1 Tryptophan Hydroxylase Inhibitors for the Treatment of Cancer LEXICON PHARMACEUTICALS, INC. 2012-12-13 US disclosed
CN-102753168-A Tryptophan hydroxylase inhibitors for the treatment of metastatic bone disease LEXICON PHARMACEUTICALS INC 2012-10-24 CN disclosed
CN-102711749-A Tryptophan hydroxylase inhibitors for the treatment of cancer LEXICON PHARMACEUTICALS INC 2012-10-03 CN disclosed
EP-1984344-B1 MULTICYCLIC AMINO ACID DERIVATIVES AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2012-09-26 EP disclosed
US-20090029993-A1 METHODS OF AFFECTING GASTROINTESTINAL TRANSIT AND GASTRIC EMPTYING, AND COMPOUNDS USEFUL THEREIN LEXICON PHARMACEUTICALS, INC. 2009-01-29 US disclosed
WO-2009014972-A1 METHODS OF AFFECTING GASTROINTESTINAL TRANSIT AND GASTRIC EMPTYING, AND COMPOUNDS USEFUL THEREIN LEXICON PHARMACEUTICALS, INC. (US) 2009-01-29 WO disclosed
WO-2009009561-A1 METHODS AND COMPOSITIONS FOR TREATING PULMONARY HYPERTENSION AND RELATED DISEASES AND DISORDERS LEXICON PHARMACEUTICALS, INC. (US) 2009-01-15 WO disclosed
US-20090005381-A1 METHODS OF TREATING SEROTONIN-MEDIATED DISEASES AND DISORDERS LEXICON PHARMACEUTICALS, INC. 2009-01-01 US disclosed
US-20090005382-A1 METHODS OF USING AND COMPOSITIONS COMPRISING TRYPTOPHAN HYDROXYLASE INHIBITORS TERSERA THERAPEUTICS LLC 2009-01-01 US disclosed
WO-2009002964-A1 METHODS OF TREATING SEROTONIN-MEDIATED DISEASES AND DISORDERS LEXICON PHARMACEUTICALS, INC. (US) 2008-12-31 WO disclosed
WO-2009002970-A1 COMPOSITIONS COMPRISING TRYPTOPHAN HYDROXYLASE INHIBITORS LEXICON PHARMACEUTICALS, INC. (US) 2008-12-31 WO disclosed
EP-1984344-A2 MULTICYCLIC AMINO ACID DERIVATIVES AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2008-10-29 EP disclosed
US-20070191370-A1 Multicyclic amino acid derivatives and methods of their use TERSERA THERAPEUTICS LLC 2007-08-16 US disclosed
WO-2007089335-A2 MULTICYCLIC AMINO ACID DERIVATIVES AND METHODS OF THEIR USE LEXICON PHARMACEUTICAL INC. (US) 2007-08-09 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 (7 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-20130274261-A1 METHODS FOR TREATING PULMONARY HYPERTENSION TPH1, TPH2, PTGIS SMN1; SMN2 4645/4885MAPT 4613/4885ALDH1A1 602/4885
US-20120316171-A1 Tryptophan Hydroxylase Inhibitors for the Treatment of Cancer TPH1, TPH2, HNMT SMN1; SMN2 4040/4885MAPT 2416/4885ALDH1A1 478/4885
US-20070191370-A1 Multicyclic amino acid derivatives and methods of their use AADAT, HNMT, TPH1 SMN1; SMN2 885/4885MAPT 1108/4885ALDH1A1 1286/4885
US-20130137635-A1 TRYPTOPHAN HYDROXYLASE INHIBITORS FOR THE TREATMENT OF METASTATIC BONE DISEASE TPH1, TPH2, IDO1 SMN1; SMN2 3954/4885MAPT 1347/4885ALDH1A1 1242/4885
US-20090005381-A1 METHODS OF TREATING SEROTONIN-MEDIATED DISEASES AND DISORDERS TPH1, TPH2, HNMT SMN1; SMN2 1003/4885MAPT 1949/4885ALDH1A1 647/4885
US-20090029993-A1 METHODS OF AFFECTING GASTROINTESTINAL TRANSIT AND GASTRIC EMPTYING, AND COMPOUNDS USEFUL THEREIN TPH1, TPH2, HNMT SMN1; SMN2 2188/4885MAPT 4460/4885ALDH1A1 1286/4885
US-20090005382-A1 METHODS OF USING AND COMPOSITIONS COMPRISING TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, MAOB SMN1; SMN2 3030/4885MAPT 1340/4885ALDH1A1 497/4885

“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.