SCHEMBL3255173

SCHEMBL3255173

O=C(CCc1ccccc1)Nc1ccc(F)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.77
HTT P42858 1/20 0.77
GAA P10253 3/20 0.72
LMNA P02545 2/20 0.72
RAB9A P51151 3/20 0.66
MLYCD O95822 1/20 0.65
HDAC3 O15379 3/20 0.64
HDAC1 Q13547 3/20 0.64
HDAC2 Q92769 3/20 0.64
TSHR P16473 2/20 0.64
HDAC4 P56524 2/20 0.64
HDAC7 Q8WUI4 2/20 0.64
HDAC10 Q969S8 2/20 0.64
HDAC11 Q96DB2 2/20 0.64
HDAC8 Q9BY41 2/20 0.64
HDAC6 Q9UBN7 2/20 0.64
HDAC9 Q9UKV0 2/20 0.64
HDAC5 Q9UQL6 2/20 0.64
POLB P06746 1/20 0.64
NCOR2 Q9Y618 1/20 0.63

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
SCHEMBL28558959 0.93 MAPT (0.77) MAPTHTTGAALMNARAB9A
SCHEMBL3061430 0.88 MAPT (1.00) MAPTHTTGAALMNARAB9A
Hydrochloric Acid SCHEMBL27689202 0.86 MAPT (0.96) MAPTHTTGAALMNARAB9A
SCHEMBL28277703 0.85 MAPT (0.70) MAPTHTTGAALMNARAB9A
SCHEMBL27671467 0.85 MAPT (0.86) MAPTHTTGAALMNARAB9A
SCHEMBL11705109 0.85 TRPV1 (0.82) MAPTHTTGAALMNARAB9A
SCHEMBL13356363 0.85 MAPT (0.80) MAPTHTTGAALMNARAB9A
Methyl Alcohol SCHEMBL4593446 0.84 MAPT (0.93) MAPTHTTGAALMNARAB9A
SCHEMBL15352334 0.84 TP53 (0.67) MAPTHTTGAALMNARAB9A
SCHEMBL2003074 0.83 MAPT (0.77) MAPTHTTGAALMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110066254-B Preparation method of isothiazole-3-ketone compound 温州大学 2021-03-19 CN disclosed
EP-2099762-B1 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2010-05-12 EP disclosed
US-20100069366-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN-CILAG (NJ) 2010-03-18 US disclosed
EP-2099762-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2009-09-16 EP disclosed
WO-2008068266-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-12 WO 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 (1 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-20100069366-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES NQO2, NDUFB5, NDUFB7 MAPT 3969/4885HTT 3932/4885GAA 937/4885

“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.