SCHEMBL330322

SCHEMBL330322

O=[N+]([O-])c1[c]cc(C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.41
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HIF1A Q16665 1/20 0.39
TXNRD1 Q16881 1/20 0.39
TXNRD3 Q86VQ6 1/20 0.39
TXNRD2 Q9NNW7 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KIF11 P52732 2/20 0.39
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA5A P35218 1/20 0.36
CA9 Q16790 1/20 0.36
MAPT P10636 3/20 0.35
MAPK1 P28482 2/20 0.35
TTR P02766 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL5956429 0.75 CYP3A4 (0.43) ALDH1A1CYP3A4HPGDALOX15TSHR
SCHEMBL2684523 0.74 ATM (0.41) FBP1ALDH1A1CYP3A4HPGDTSHR
SCHEMBL7876673 0.73 MEN1 (0.57) ALDH1A1HPGDTDP1MAPTMAPK1
SCHEMBL11037953 0.73 ALDH1A1 (0.36) ALDH1A1CYP3A4HPGDALOX15TSHR
SCHEMBL16960281 0.73 MAPT (0.38) ALDH1A1TXNRD1KIF11MAPTNPSR1
SCHEMBL146794 0.72 ALDH1A1 (0.42) FBP1ALDH1A1CYP3A4HPGDALOX15
SCHEMBL18603 0.71 ALDH1A1 (0.43) ALDH1A1TSHRTDP1CA1CA2
SCHEMBL27792077 0.70 ALDH1A1 (0.41) FBP1ALDH1A1CYP3A4HPGDALOX15
SCHEMBL6047845 0.69 TDP1 (0.32) ALDH1A1TDP1LMNA
SCHEMBL2441755 0.69 ALDH1A1 (0.36) FBP1ALDH1A1CYP3A4HPGDALOX15

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 93 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114213353-A Aryl-oxazole-oxazoline compound and preparation method and application thereof 贵州大学 2022-03-22 CN claimed
CN-101849953-B Inflammatory cytokine release inhibitor INST MED MOLECULAR DESIGN INC 2012-04-25 CN claimed
EP-1844766-B1 Inhibitors against the production and release of inflammatory cytokines INST MED MOLECULAR DESIGN INC (JP) 2012-04-18 EP claimed
CN-101849953-A Inflammatory cytokine release inhibitor INST MED MOLECULAR DESIGN INC 2010-10-06 CN claimed
US-7700655-B2 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-04-20 US claimed
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-07-30 US claimed
CN-100490793-C Remedies for neurodegenerative diseases INST MED MOLECULAR DESIGN INC (JP) 2009-05-27 CN claimed
CN-100464742-C NF-kB activation inhibitor INST MED MOLECULAR DESIGN INC (JP) 2009-03-04 CN claimed
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-12-25 US claimed
US-20080311074-A1 Inhibitors against activation of NF-kappaB INSTITUTE OF MEDICAL MOLECULAR DESIGN INC. (JP) 2008-12-18 US claimed
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-10-09 US claimed
US-20080234233-A1 MEDICAMENT FOR TREATMENT OF NEURODEGENERATIVE DISEASES INSTITUTE OF MEDICINAL MOLECULAR DESIGN INC. (JP) 2008-09-25 US claimed
CN-100370975-C Inflammatory cytokine production dissociation inhibitor INST OF MEDICINE MOLECULAR DES (JP) 2008-02-27 CN claimed
CN-101125138-A Inhibitors against the production and release of inflammatory cytokines INST MED MOLECULAR DESIGN INC (JP) 2008-02-20 CN claimed
EP-1847263-A2 Inhibitors against the production and release of inflammatory cytokines Institute of Medicinal Molecular Design, Inc. (JP) 2007-10-24 EP claimed
EP-1844766-A2 Inhibitors against the production and release of inflammatory cytokines Institute of Medicinal Molecular Design, Inc. (JP) 2007-10-17 EP claimed
US-20070185110-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US claimed
US-20070042997-A1 Medicament for treatment of dermal pigmentation INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-02-22 US claimed
CN-1826106-A Therapeutic agent for skin pigmentation INST MED MOLECULAR DESIGN INC (JP) 2006-08-30 CN claimed
EP-1649852-A1 CHROMATOSIS REMEDIES Institute of Medicinal Molecular Design, Inc. (JP) 2006-04-26 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20080311074-A1 Inhibitors against activation of NF-kappaB NFKBIA, IKBKB, RELA FBP1 1192/4885ALDH1A1 2096/4885CYP3A4 4140/4885
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A FBP1 2046/4885ALDH1A1 563/4885CYP3A4 1488/4885
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A FBP1 2046/4885ALDH1A1 563/4885CYP3A4 1488/4885
US-20080234233-A1 MEDICAMENT FOR TREATMENT OF NEURODEGENERATIVE DISEASES MAPT, TFEB, MAOA FBP1 4290/4885ALDH1A1 425/4885CYP3A4 2673/4885
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A FBP1 2046/4885ALDH1A1 563/4885CYP3A4 1488/4885
US-20070185110-A1 Antiallergic agents NAT1, EPX, AHR FBP1 3372/4885ALDH1A1 340/4885CYP3A4 2039/4885
US-20070042997-A1 Medicament for treatment of dermal pigmentation TYR, XDH, XPA FBP1 3091/4885ALDH1A1 140/4885CYP3A4 2041/4885

“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.