SCHEMBL618118

SCHEMBL618118

CC(=O)Nc1ccc(C=O)cc1I

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.54
CA2 P00918 3/20 0.54
CA9 Q16790 2/20 0.54
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
ALDH1A1 P00352 5/20 0.39
HPGD P15428 2/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 3/20 0.39
HSD17B10 Q99714 1/20 0.39
ADRB2 P07550 1/20 0.38
TBXA2R P21731 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
PTGS2 P35354 1/20 0.37

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
SCHEMBL29953797 0.81 RAB9A (0.62) CA1CA2CA9RAB9ANPC1
SCHEMBL7013927 0.81 ALDH1A1 (0.52) RAB9ANPC1POLBMAPTAKR1C3
SCHEMBL6108998 0.79 HDAC1 (0.55) CA1CA2CA9RAB9ANPC1
SCHEMBL7058277 0.79 CA1 (0.54) CA1CA2CA9RAB9ANPC1
SCHEMBL7061559 0.79 CA1 (0.55) CA1CA2CA9RAB9ANPC1
SCHEMBL5775229 0.79 CA1 (0.41) CA1CA2CA9RAB9AMAPT
SCHEMBL15982252 0.78 ALDH1A1 (0.38) RAB9AALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL10852754 0.78 CA1 (0.60) CA1CA2CA9RAB9ANPC1
SCHEMBL7796217 0.78 KDM4E (0.61) RAB9ANPC1POLBMAPTAKR1C3
SCHEMBL7215753 0.77 ALDH1A1 (0.52) RAB9ANPC1POLBMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2408454-B1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP (CA) 2024-07-24 EP disclosed
US-11407719-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2022-08-09 US disclosed
US-20210070716-A1 ANTI-INFLAMMATORY AGENTS HEPALINK (HONG KONG) LIMITED (HK) 2021-03-11 US disclosed
US-10882828-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2021-01-05 US disclosed
US-20190119222-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2019-04-25 US disclosed
US-10131640-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2018-11-20 US disclosed
US-20160137613-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2016-05-19 US disclosed
US-9238640-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2016-01-19 US disclosed
US-20130281399-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION RVX THERAPEUTICS INC. (CA) 2013-10-24 US disclosed
US-20120040954-A1 NOVEL ANTI-INFLAMMATORY AGENTS HEPALINK (HONG KONG) LIMITED (HK) 2012-02-16 US disclosed
US-6624153-B2 Derivatives of two synthetic anti-tuberculosis agents, thioacetazone and p-aminosalicylic acid, have been synthesized. In general, the halogenated compound has the structure of Structure I:for use as anti-tuberculosis UNIVERSITY OF SCIENCES IN PHILADELPHIA 2003-09-23 US disclosed
US-20030114531-A1 Halogenated antituberculosis agents KOBARFARD FARZAD (US) 2003-06-19 US disclosed
WO-2002092019-A2 HALOGENATED ANTITUBERCULOSIS AGENTS UNIVERSITY OF THE SCIENCES IN PHILADELPHIA (US) 2002-11-21 WO disclosed
US-20020173548-A1 HALOGENATED ANTITUBERCULOSIS AGENTS SCIENCES IN PHILADELPHIA, UNIVERSITY OF 2002-11-21 US disclosed
US-6482982-B1 BACTERICIDES; MYCOBACTERIUM RESISTANCE UNIVERSITY OF SCIENCES OF PHILADELPHIA 2002-11-19 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 (10 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-11407719-B2 Anti-inflammatory agents VCAM1, ICAM1, IL6 CA1 4101/4885CA2 4588/4885CA9 3896/4885
US-20160137613-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 CA1 4219/4885CA2 4599/4885CA9 3872/4885
US-20130281399-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION PHKB, BAZ2A, EP300 CA1 4650/4885CA2 4474/4885CA9 4750/4885
US-10882828-B2 Anti-inflammatory agents VCAM1, ICAM1, IL6 CA1 4101/4885CA2 4588/4885CA9 3896/4885
US-20210070716-A1 ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 CA1 4101/4885CA2 4588/4885CA9 3896/4885
US-10131640-B2 Anti-inflammatory agents VCAM1, ICAM1, IL6 CA1 4101/4885CA2 4588/4885CA9 3896/4885
US-20030114531-A1 Halogenated antituberculosis agents XDH, TST, QSOX1 CA1 3534/4885CA2 2193/4885CA9 3740/4885
US-20020173548-A1 HALOGENATED ANTITUBERCULOSIS AGENTS XDH, TST, QSOX1 CA1 3534/4885CA2 2193/4885CA9 3740/4885
US-20190119222-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 CA1 4219/4885CA2 4599/4885CA9 3872/4885
US-20120040954-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 CA1 4219/4885CA2 4599/4885CA9 3872/4885

“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.