SCHEMBL308391

SCHEMBL308391

Nc1nc(Cl)cc(SCc2ccccc2)n1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.55
▸ HRH4 Q9H3N8 1/20 0.54
▸ SMN1; SMN2 Q16637 4/20 0.53
▸ LMNA P02545 2/20 0.53
▸ RAB9A P51151 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ HIF1A Q16665 1/20 0.49
▸ HSP90AA1 P07900 2/20 0.49
▸ MAPT P10636 3/20 0.49
▸ KDM4E B2RXH2 1/20 0.47
▸ HSP90AB1 P08238 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ CYP3A4 P08684 1/20 0.43
▸ MPO P05164 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ ALOX15 P16050 1/20 0.43

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
SCHEMBL307965 0.85 SMN1; SMN2 (0.62) KMT2AHRH4SMN1; SMN2LMNAHIF1A
SCHEMBL22553421 0.83 KMT2A (0.48) KMT2AHRH4SMN1; SMN2LMNARAB9A
SCHEMBL17646831 0.77 MAPT (0.52) KMT2AHRH4SMN1; SMN2LMNARAB9A
SCHEMBL489860 0.74 RAB9A (0.78) KMT2ASMN1; SMN2RAB9ANPC1HSP90AA1
SCHEMBL17397997 0.74 POLB (0.49) KMT2ASMN1; SMN2LMNARAB9ANPC1
SCHEMBL489903 0.74 RAB9A (0.62) KMT2ASMN1; SMN2RAB9ANPC1HIF1A
SCHEMBL5369044 0.73 ABL1 (0.50) KMT2ASMN1; SMN2LMNARAB9ANPC1
SCHEMBL7146168 0.73 ALDH1A1 (0.60) KMT2AHRH4SMN1; SMN2RAB9ANPC1
SCHEMBL3718901 0.73 HSP90AB1 (0.74) HRH4SMN1; SMN2HSP90AA1KDM4EHSP90AB1
SCHEMBL2850225 0.72 HSP90AA1 (0.67) KMT2ASMN1; SMN2RAB9ANPC1HIF1A

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 44 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
CN-103265495-B Multicyclic amino acid derivatives and using method thereof 莱西肯医药有限公司 2016-11-16 — — CN 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
CN-103265495-A Multicyclic amino acid derivatives and methods of their use LEXICON GENETICS INC 2013-08-28 — — CN 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
CN-101351451-B Polycyclic amino acid derivatives and methods of use thereof LEXICON PHARMACEUTICALS INC 2013-02-20 — — CN 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
US-20090029993-A1 METHODS OF AFFECTING GASTROINTESTINAL TRANSIT AND GASTRIC EMPTYING, AND COMPOUNDS USEFUL THEREIN LEXICON PHARMACEUTICALS, INC. 2009-01-29 — — US disclosed
CN-101351451-A Polycyclic amino acid derivatives and methods of use thereof LEXICON GENETICS INC (US) 2009-01-21 — — CN 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 KMT2A 2648/4885HRH4 85/4885SMN1; SMN2 4645/4885
US-20120316171-A1 Tryptophan Hydroxylase Inhibitors for the Treatment of Cancer TPH1, TPH2, HNMT KMT2A 426/4885HRH4 131/4885SMN1; SMN2 4040/4885
US-20070191370-A1 Multicyclic amino acid derivatives and methods of their use AADAT, HNMT, TPH1 KMT2A 2950/4885HRH4 505/4885SMN1; SMN2 885/4885
US-20130137635-A1 TRYPTOPHAN HYDROXYLASE INHIBITORS FOR THE TREATMENT OF METASTATIC BONE DISEASE TPH1, TPH2, IDO1 KMT2A 333/4885HRH4 148/4885SMN1; SMN2 3954/4885
US-20090005381-A1 METHODS OF TREATING SEROTONIN-MEDIATED DISEASES AND DISORDERS TPH1, TPH2, HNMT KMT2A 2154/4885HRH4 88/4885SMN1; SMN2 1003/4885
US-20090029993-A1 METHODS OF AFFECTING GASTROINTESTINAL TRANSIT AND GASTRIC EMPTYING, AND COMPOUNDS USEFUL THEREIN TPH1, TPH2, HNMT KMT2A 2920/4885HRH4 46/4885SMN1; SMN2 2188/4885
US-20090005382-A1 METHODS OF USING AND COMPOSITIONS COMPRISING TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, MAOB KMT2A 1717/4885HRH4 272/4885SMN1; 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.

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