SCHEMBL6130745

SCHEMBL6130745

O=C(O)c1csc2cccc(Br)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
CA2 P00918 2/20 0.43
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
PRNP P04156 1/20 0.40
ALDH1A1 P00352 4/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
CNR2 P34972 1/20 0.38
FABP4 P15090 1/20 0.36

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
SCHEMBL6130704 0.80 KDM4E (0.45) TSHRCA2HDAC3HDAC4HDAC1
SCHEMBL14886651 0.79 ALB (0.47) TSHRCA2HDAC3HDAC4HDAC1
SCHEMBL4295213 0.79 KDM4E (0.47) TSHRHDAC3HDAC4HDAC1HDAC7
SCHEMBL29754926 0.76 CA2 (0.49) CA2HDAC3HDAC4HDAC1HDAC7
SCHEMBL9432222 0.76 CA2 (0.49) CA2HDAC3HDAC4HDAC1HDAC7
SCHEMBL5351904 0.75 TAS2R14 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL31721926 0.72 ALB (0.41) CA2ALDH1A1HSD17B10KMT2ACA1
SCHEMBL6130740 0.71 PRNP (0.47) TSHRHDAC3HDAC4HDAC1HDAC7
SCHEMBL24852664 0.69 CA2 (0.47) CA2ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL2091918 0.69 CA2 (0.44) CA2ALDH1A1CYP1A2CYP2D6CYP2C19

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023277630-A1 GALACTOSIDE DERIVATIVE AS GALECTIN-3 INHIBITOR 주식회사 티움바이오 2023-01-05 WO disclosed
EP-1598065-A2 Drugs for improving prognosis of brain injury Japan Science and Technology Agency (JP) 2005-11-23 EP disclosed
US-20050227984-A1 Drugs for improving the prognosis of brain injury and a method of screening the same TAIHO PHARMACEUTICAL CO., LTD. (JP) 2005-10-13 US disclosed
US-20050222235-A1 Drugs for improving the prognosis of brain injury and a method of screening the same SHIONOGI & CO., LTD. (JP) 2005-10-06 US disclosed
EP-1535629-A1 DRUGS FOR IMPROVING THE PROGNOSIS OF BRAIN INJURY AND A METHOD OF SCREENING THE SAME Japan Science and Technology Agency (JP) 2005-06-01 EP disclosed
US-20030027854-A1 Methods for the treatment of itching comprising administering PGD2 receptor antagonists SHIONOGI & CO., LTD. 2003-02-06 US disclosed
US-6506789-B2 For prophylaxis and therapy of itching derived from contact dermatitis, allergic conjunctivitis, urticaria, atopic dermatitis SHIONOGI & CO., LTD. (JP) 2003-01-14 US disclosed
EP-0944614-B1 BENZOTHIOPHENECARBOXAMIDE DERIVATIVES AND PGD2 ANTAGONISTS COMPRISING THEM SHIONOGI & CO (JP) 2002-09-11 EP disclosed
US-20020058693-A1 Methods for the treatment of itching comprising administering PGD2 receptor antagonists ARIMURA AKINORI (JP) 2002-05-16 US disclosed
EP-1084711-A1 REMEDIES FOR ITCHING CONTAINING PGD 2? ANTAGONISTS SHIONOGI & CO., LTD. (JP) 2001-03-21 EP disclosed
US-6083974-A BENZOTHIOPHENECARBOXAMIDE CONTAINING NORPINANE RING IS USEFUL FOR PREVENTING NASAL BLOCKAGE SHIONOGI & CO., LTD. (JP) 2000-07-04 US disclosed
EP-0944614-A1 BENZOTHIOPHENECARBOXAMIDE DERIVATIVES AND PGD2 ANTAGONISTS COMPRISING THEM SHIONOGI & CO., LTD. (JP) 1999-09-29 EP disclosed
WO-1998025919-A1 BENZOTHIOPHENECARBOXAMIDE DERIVATIVES AND PGD2 ANTAGONISTS COMPRISING THEM SHIONOGI & CO., LTD. (JP) 1998-06-18 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 (4 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-20050222235-A1 Drugs for improving the prognosis of brain injury and a method of screening the same HPGDS, PTGDR, PTGDR2 TSHR 2411/4885CA2 2399/4885HDAC3 3260/4885
US-20020058693-A1 Methods for the treatment of itching comprising administering PGD2 receptor antagonists HRH2, PTGER2, PTGDR2 TSHR 1575/4885CA2 368/4885HDAC3 2544/4885
US-20030027854-A1 Methods for the treatment of itching comprising administering PGD2 receptor antagonists HRH2, PTGER2, PTGDR2 TSHR 1575/4885CA2 368/4885HDAC3 2544/4885
US-20050227984-A1 Drugs for improving the prognosis of brain injury and a method of screening the same HPGDS, PTGDR, PTGDR2 TSHR 2411/4885CA2 2399/4885HDAC3 3260/4885

“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.