SCHEMBL5203873

SCHEMBL5203873

C=CCSc1nc2ccccc2o1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDAH1 O94760 1/20 0.59
ADRA2C P18825 1/20 0.59
ALDH1A1 P00352 3/20 0.55
SMN1; SMN2 Q16637 9/20 0.52
RAB9A P51151 6/20 0.52
KMT2A Q03164 5/20 0.52
NPC1 O15118 5/20 0.52
TSHR P16473 4/20 0.52
MEN1 O00255 4/20 0.52
HPGD P15428 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
PKM P14618 1/20 0.52
MAPK1 P28482 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MAPT P10636 5/20 0.51
LMNA P02545 4/20 0.51
HTT P42858 2/20 0.51
HSD17B10 Q99714 1/20 0.51
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49

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
SCHEMBL1054682 0.87 DDAH1 (0.49) DDAH1ADRA2CALDH1A1SMN1; SMN2RAB9A
SCHEMBL5623032 0.81 DDAH1 (0.65) DDAH1ADRA2CALDH1A1SMN1; SMN2RAB9A
SCHEMBL10936024 0.80 DDAH1 (0.55) DDAH1ADRA2CALDH1A1SMN1; SMN2RAB9A
SCHEMBL10936030 0.80 DDAH1 (0.55) DDAH1ADRA2CALDH1A1SMN1; SMN2RAB9A
SCHEMBL8409996 0.78 DDAH1 (0.71) DDAH1ADRA2CALDH1A1SMN1; SMN2RAB9A
SCHEMBL4188069 0.78 DDAH1 (0.59) DDAH1ADRA2CALDH1A1SMN1; SMN2RAB9A
SCHEMBL774784 0.77 DDAH1 (0.65) DDAH1ADRA2CALDH1A1SMN1; SMN2RAB9A
SCHEMBL8383277 0.77 DDAH1 (0.51) DDAH1ADRA2CALDH1A1SMN1; SMN2RAB9A
SCHEMBL31293729 0.77 DDAH1 (0.51) DDAH1ADRA2CALDH1A1SMN1; SMN2RAB9A
SCHEMBL4738504 0.76 SMN1; SMN2 (0.44) DDAH1ADRA2CSMN1; SMN2RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6239111-B1 DRUG FOR TREATING BRAIN DISEASES, ENABLES PREVENTION OR TREATMENT OF DEMENTIA AND SIMILAR DISEASES CAUSED BY DEGENERATION OR SLOUGHING OF NEURONS, AN ALLY SULFIDE, SULFOXIDE OR SULFONE WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2001-05-29 US claimed
US-4010033-A PHOTOCHROMIC SPIROPYRANE, NITROGEN-CONTAINING THIOETHER AGENCE NATIONALE DE VALORISATION DE LA RECHERCHE (ANVAR) (FR) 1977-03-01 US claimed
US-20070123574-A1 Methods for the preparation of benzoxazole sulfonamide compounds and intermediates thereof DE KOCK HERMAN A 2007-05-31 US disclosed
EP-1670773-B1 METHODS FOR THE PREPARATION OF BENZOXAZOLE SULFONAMIDE COMPOUNDS AND INTERMEDIATES THEREOF TIBOTEC PHARM LTD (IE) 2007-02-07 EP disclosed
EP-1670773-A1 METHODS FOR THE PREPARATION OF BENZOXAZOLE SULFONAMIDE COMPOUNDS AND INTERMEDIATES THEREOF Tibotec Pharmaceuticals Ltd. (IE) 2006-06-21 EP disclosed
WO-2005030739-A1 METHODS FOR THE PREPARATION OF BENZOXAZOLE SULFONAMIDE COMPOUNDS AND INTERMEDIATES THEREOF TIBOTEC PHARMACEUTICALS LTD. (IE) 2005-04-07 WO disclosed
EP-0885608-A1 REMEDIES FOR BRAIN DISEASES WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 1998-12-23 EP disclosed
US-4873346-A BRONCHODILATORS, TREATMENT OF ASTHMA THE UPJOHN COMPANY (US) 1989-10-10 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 (1 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-20070123574-A1 Methods for the preparation of benzoxazole sulfonamide compounds and intermediates thereof STS, MPST, SULT1E1 DDAH1 532/4885ADRA2C 4519/4885ALDH1A1 858/4885

“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.