SCHEMBL68084

SCHEMBL68084

[NH]c1cccc(OC(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 2/20 0.42
NOTUM Q6P988 1/20 0.41
KIF11 P52732 2/20 0.41
CETP P11597 2/20 0.41
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
SLC22A12 Q96S37 1/20 0.39
PIM1 P11309 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
DAO P14920 1/20 0.39
MPI P34949 1/20 0.39
XDH P47989 1/20 0.39
GALR1 P47211 1/20 0.39
EPHX2 P34913 1/20 0.38
SYK P43405 1/20 0.38

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
SCHEMBL3147185 0.84 GPR3 (0.50) GPR3KIF11CETPCHRM2CHRM1
SCHEMBL2090699 0.83 KIF11 (0.32) NOTUMKIF11
SCHEMBL1805627 0.78 KIF11 (0.41) KIF11CETP
SCHEMBL2094855 0.77 GPR3 (0.45) GPR3KIF11CETPCHRM2CHRM1
SCHEMBL2088212 0.77 GPR3 (0.39) GPR3NOTUMKIF11PIM1EPHX2
SCHEMBL3146332 0.76 GPR3 (0.44) GPR3KIF11CETPCHRM2CHRM1
SCHEMBL29435934 0.76 GPR3 (0.50) GPR3KIF11CETPCHRM2CHRM1
SCHEMBL254534 0.76 GPR3 (0.50) GPR3KIF11CETPCHRM2CHRM1
SCHEMBL21287982 0.75 PIM1 (0.50) GPR3KIF11CETPCHRM2CHRM1
SCHEMBL7002643 0.74 GPR3 (0.42) GPR3KIF11CETPCHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11807607-B1 Aminocarbazole compounds as antibacterial agents King Faisal University (SA) 2023-11-07 US disclosed
US-11780809-B1 Carbazole compounds as antibacterial agents King Faisal University (SA) 2023-10-10 US disclosed
US-8865732-B2 Heterocyclic compounds and uses thereof NOVARTIS AG (CH) 2014-10-21 US disclosed
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof NOVARTIS AG (CH) 2013-08-15 US disclosed
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US disclosed
US-8129394-B2 Heteroaryl-substituted imidazole compounds and uses thereof NOVARTIS AG (CH) 2012-03-06 US disclosed
EP-2274300-A2 NOVEL HETEROCYCLIC COMPOUNDS AND USES THEROF Novartis AG (CH) 2011-01-19 EP disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 US disclosed
WO-2009115572-A2 NOVEL HETEROCYCLIC COMPOUNDS AND USES THEROF NOVARTIS AG (CH) 2009-09-24 WO disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
US-20070010402-A1 Novel herbicides, usage thereof, novel thienopyrimidine derivatives, intermediates of the same, and process for production thereof NIHON NOHYAKU CO., LTD., (JP) 2007-01-11 US disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
EP-1544202-A1 NOVEL HERBICIDES, USAGE THEREOF, NOVEL THIENOPYRIMIDINE DERIVATIVES, INTERMEDIATES OF THE SAME, AND PROCESS FOR PRODUCTION THEREOF Nihon Nohyaku Co., Ltd. (JP) 2005-06-22 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed
EP-0882715-B1 NOVEL N-(UNSUBSTITUTED OR SUBSTITUTED)-4-SUBSTITUTED-6-(UNSUBSTITUTED OR SUBSTITUTED)PHENOXY-2-PYRIDINECARBOXAMIDES OR THIOCARBOXAMIDES, PROCESSES FOR PRODUCING THE SAME, AND HERBICIDES KUREHA CHEMICAL IND CO LTD (JP) 2003-04-23 EP disclosed
US-6339045-B1 CAN BE USED IN A SMALL AMOUNT, SHOWING A GOOD SELECTIVITY BETWEEN CROP AND WEED, AND CAUSING NO PHYTOTOXICITY KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2002-01-15 US disclosed
EP-0882715-A1 NOVEL N-(UNSUBSTITUTED OR SUBSTITUTED)-4-SUBSTITUTED-6-(UNSUBSTITUTED OR SUBSTITUTED)PHENOXY-2-PYRIDINECARBOXAMIDES OR THIOCARBOXAMIDES, PROCESSES FOR PRODUCING THE SAME, AND HERBICIDES KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1998-12-09 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 (6 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-11780809-B1 Carbazole compounds as antibacterial agents TOP2A, POLB, TOP2B GPR3 2540/4885NOTUM 3629/4885KIF11 4154/4885
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 GPR3 563/4885NOTUM 4043/4885KIF11 3992/4885
US-20070010402-A1 Novel herbicides, usage thereof, novel thienopyrimidine derivatives, intermediates of the same, and process for production thereof DDT, DPYD, DHODH GPR3 4709/4885NOTUM 7/4885KIF11 3451/4885
US-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS GPR3 2784/4885NOTUM 4669/4885KIF11 3300/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS GPR3 3540/4885NOTUM 2825/4885KIF11 3088/4885
US-11807607-B1 Aminocarbazole compounds as antibacterial agents POLB, ABAT, AADAC GPR3 3517/4885NOTUM 2632/4885KIF11 4551/4885

“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.