SCHEMBL980203

SCHEMBL980203

O=C(O)c1ccc(-c2cc3ccccc3o2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.66
NPC1 O15118 4/20 0.60
RAB9A P51151 4/20 0.60
MAOB P27338 4/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
KDM4E B2RXH2 2/20 0.60
ALDH1A1 P00352 2/20 0.60
NFKB1 P19838 1/20 0.60
NPY1R P25929 1/20 0.60
NFKB2 Q00653 1/20 0.60
RELA Q04206 1/20 0.60
ALOX5 P09917 1/20 0.57
CA1 P00915 2/20 0.56
CA9 Q16790 2/20 0.56
CA2 P00918 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
CSNK2A1 P68400 1/20 0.55
TP53 P04637 1/20 0.55

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
SCHEMBL11851187 0.91 TNKS (0.57) TNKSNPC1RAB9AMAOBSMN1; SMN2
SCHEMBL11851182 0.91 TNKS (0.57) TNKSNPC1RAB9AMAOBSMN1; SMN2
SCHEMBL11826808 0.87 TNKS (0.58) TNKSNPC1RAB9AMAOBSMN1; SMN2
SCHEMBL7734676 0.85 MEN1 (0.58) TNKSNPC1RAB9AMAOBSMN1; SMN2
SCHEMBL3694272 0.85 NPC1 (0.67) TNKSNPC1RAB9AMAOBSMN1; SMN2
SCHEMBL3487237 0.84 KDM5A (0.49) TNKSNPC1RAB9AMAOBSMN1; SMN2
SCHEMBL4601674 0.84 MAOB (0.58) TNKSNPC1RAB9AMAOBSMN1; SMN2
SCHEMBL30285970 0.83 CSNK2A1 (0.52) TNKSNPC1RAB9AMAOBSMN1; SMN2
SCHEMBL977340 0.83 FFAR1 (0.58) TNKSMAOBHDAC6FFAR1
SCHEMBL977056 0.83 HDAC6 (0.73) TNKSNPC1RAB9AMAOBSMN1; SMN2

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
US-20110021540-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 ASTRAZENECA AB (SE) 2011-01-27 US disclosed
EP-2217566-A1 BIS-(SULFONYLAMINO) DERIVATIVES IN THERAPY 066 AstraZeneca AB (SE) 2010-08-18 EP disclosed
US-20090281138-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 ASTRAZENECA AB (SE) 2009-11-12 US disclosed
WO-2009064250-A1 BIS-(SULFONYLAMINO) DERIVATIVES IN THERAPY 065 ASTRAZENECA AB (SE) 2009-05-22 WO disclosed
WO-2009064251-A1 BIS-(SULFONYLAMINO) DERIVATIVES IN THERAPY 066 ASTRAZENECA AB (SE) 2009-05-22 WO disclosed
US-20090131468-A1 Bis-(Sulfonylamino) Derivatives in Therapy 065 ASTRAZENECA AB (SE) 2009-05-21 US disclosed
US-20070173498-A1 Melanin concentrating hormone antagonist KATO KANEYOSHI 2007-07-26 US disclosed
US-20070173498-A1 Melanin concentrating hormone antagonist KATO KANEYOSHI 2007-07-26 US disclosed
US-20070173498-A1 Melanin concentrating hormone antagonist KATO KANEYOSHI 2007-07-26 US disclosed
US-7115750-B1 Melanin concentrating hormone antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-10-03 US disclosed
US-6420427-B1 PREVENTION AND/OR TREATMENT OF RHEUMATOID DISEASES, ARTHROSTEITIS, UNUSUAL BONE RESORPTION, OSTEOPOROSIS, PERIODONTITIS, INTERSTITIAL NEPHRITIS, ARTERIOSCLEROSIS, PULMONARY EMPHYSEMA, CIRRHOSIS, CORNEA INJURY ONO PHARMACEUTICAL CO., LTD. (JP) 2002-07-16 US disclosed
EP-1024134-A1 AMINOBUTANOIC ACID DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 2000-08-02 EP disclosed
US-3931215-A OPTICAL BRIGHTENERS HOECHST AKTIENGESELLSCHAFT (DT) 1976-01-06 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 (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-20090131468-A1 Bis-(Sulfonylamino) Derivatives in Therapy 065 PTGER1, CYP3A5, SULT1E1 TNKS 1951/4885NPC1 2125/4885RAB9A 3173/4885
US-20090281138-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 CYP2D6, PTGER1, CYP2B6 TNKS 1936/4885NPC1 1899/4885RAB9A 3336/4885
US-20110021540-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 CYP2D6, PTGER1, CYP2B6 TNKS 1936/4885NPC1 1899/4885RAB9A 3336/4885
US-20070173498-A1 Melanin concentrating hormone antagonist MC1R, MCHR1, MCHR2 TNKS 4256/4885NPC1 1085/4885RAB9A 1813/4885

“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.