SCHEMBL2090679

SCHEMBL2090679

CCOC(=O)Nc1c(F)cccc1F

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 6/20 0.79
SMN1; SMN2 Q16637 4/20 0.57
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
KDM4E B2RXH2 2/20 0.57
GLA P06280 1/20 0.54
POLB P06746 1/20 0.54
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
ALDH1A1 P00352 4/20 0.51
HPGD P15428 2/20 0.51
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CYP2C9 P11712 1/20 0.49
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47

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
SCHEMBL20703002 0.89 NLRP3 (1.00) NLRP3SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL7976076 0.85 NLRP3 (0.60) NLRP3SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL22390769 0.83 NLRP3 (0.61) NLRP3SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL9359788 0.81 NLRP3 (0.78) NLRP3SMN1; SMN2KDM4EGLAPOLB
SCHEMBL4820340 0.81 ALDH1A1 (0.59) NLRP3SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL4825037 0.81 NLRP3 (0.58) NLRP3SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL26181223 0.81 NLRP3 (0.68) NLRP3MEN1KMT2AALDH1A1LMNA
SCHEMBL4826133 0.81 ALDH1A1 (0.62) NLRP3SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL7558526 0.79 NLRP3 (0.54) NLRP3SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL1985207 0.79 NLRP3 (0.54) NLRP3SMN1; SMN2NPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7439382-B2 4-alkyl-2-haloaniline derivatives and process for producing the same MEIJI SEIKA KAISHA, LTD. (JP) 2008-10-21 US 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-20050143454-A1 4-Alkyl-2-haloaniline derivative and process and process for producing the same MEIJI SEIKA PHARMA CO., LTD. (JP) 2005-06-30 US disclosed
EP-1506954-A1 4-ALKYL-2-HALOANILINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2005-02-16 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 (2 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-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 NLRP3 1659/4885SMN1; SMN2 3787/4885NPC1 3130/4885
US-20050143454-A1 4-Alkyl-2-haloaniline derivative and process and process for producing the same NAT1, CYP4X1, HAX1 NLRP3 3421/4885SMN1; SMN2 4051/4885NPC1 2718/4885

“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.