SCHEMBL996616

SCHEMBL996616

Cc1ccc(C(N)=S)c([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
CYP3A4 P08684 1/20 0.56
GPR35 Q9HC97 1/20 0.47
KAT2B Q92831 2/20 0.43
KCNMA1 Q12791 2/20 0.43
ALDH1A1 P00352 5/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 2/20 0.42
MITF O75030 1/20 0.42
HTT P42858 1/20 0.42
CCR6 P51684 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 1/20 0.41
HPGD P15428 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
SCHEMBL6888476 0.87 HPGD (0.44) TSHRCYP3A4KAT2BALDH1A1MAPT
SCHEMBL8883472 0.86 TSHR (0.56) TSHRCYP3A4GPR35KAT2BALDH1A1
SCHEMBL404538 0.84 TSHR (0.58) TSHRCYP3A4GPR35KCNMA1ALDH1A1
SCHEMBL9542582 0.84 TSHR (0.58) TSHRCYP3A4GPR35KCNMA1ALDH1A1
SCHEMBL6203361 0.79 ATM (0.50) CYP3A4KCNMA1ALDH1A1MAPTMAPK1
SCHEMBL3112702 0.79 TSHR (0.60) TSHRCYP3A4GPR35KCNMA1ALDH1A1
SCHEMBL406111 0.79 TSHR (0.60) TSHRCYP3A4GPR35KCNMA1ALDH1A1
SCHEMBL9816573 0.78 TSHR (0.50) TSHRCYP3A4GPR35KAT2BALDH1A1
SCHEMBL9542579 0.77 TSHR (0.58) TSHRCYP3A4GPR35KCNMA1ALDH1A1
SCHEMBL8494822 0.77 TSHR (0.58) TSHRCYP3A4GPR35KCNMA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1126833-A4 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES INC (US) 2004-09-08 EP claimed
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 EP claimed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 WO claimed
EP-1919898-B1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARM LTD (IE) 2011-01-26 EP disclosed
EP-1919898-B1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARM LTD (IE) 2011-01-26 EP disclosed
US-7666834-B2 Macrocyclic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD. (IE) 2010-02-23 US disclosed
US-7666834-B2 Macrocyclic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD. (IE) 2010-02-23 US disclosed
US-7666834-B2 Macrocyclic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD. (IE) 2010-02-23 US disclosed
US-20090270363-A1 2-Aryl- and 2-Heteroarylthiazolyl Compounds, Methods for Their Preparation and Use Thereof WYETH (US) 2009-10-29 US disclosed
US-20090105302-A1 Macrocylic Inhibitors of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2009-04-23 US disclosed
US-20090105302-A1 Macrocylic Inhibitors of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2009-04-23 US disclosed
CN-101273027-A Macrocyclic inhibitors of hepatitis C virus TIBOTEC PHARM LTD (IE) 2008-09-24 CN disclosed
EP-1919898-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS Tibotec Pharmaceuticals Ltd. (IE) 2008-05-14 EP disclosed
CN-101010316-A Compounds useful for inhibiting CHK1 ICOS CORP (US) 2007-08-01 CN disclosed
WO-2007014922-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-02-08 WO disclosed
WO-2007014922-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-02-08 WO disclosed
US-6562830-B1 Compounds which prevent or induce the remission of existing precancerous or cancerous lesions or carcinomas would greatly reduce illness and death from cancer CELL PATHWAYS, INC. 2003-05-13 US disclosed
EP-0371731-B1 Quinazolinone derivatives SMITH KLINE FRENCH LAB (GB) 1994-04-20 EP disclosed
US-5147875-A 2-(SUBSTITUTED PHENYL)-4-OXO-QUINAZOLINES SANSHIN KOGYO KABISHIKI KAISHA (JP) 1992-09-15 US disclosed
EP-0371731-A2 Quinazolinone derivatives SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-06-06 EP 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-20090105302-A1 Macrocylic Inhibitors of Hepatitis C Virus HCCS, CBR1, CYP2B6 TSHR 864/4885CYP3A4 51/4885GPR35 3339/4885
US-20090270363-A1 2-Aryl- and 2-Heteroarylthiazolyl Compounds, Methods for Their Preparation and Use Thereof SEC63, SEC62, SEC22B TSHR 3245/4885CYP3A4 2150/4885GPR35 3755/4885

“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.