SCHEMBL20985487

SCHEMBL20985487

N[CH]Cc1ccccc1F

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.54
IDO1 P14902 2/20 0.50
AOC3 Q16853 1/20 0.44
LMNA P02545 1/20 0.41
ALDH1A1 P00352 4/20 0.40
MAOB P27338 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
CYP2A13 Q16696 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
SCHEMBL575057 0.78 TAAR1 (0.50) TAAR1IDO1AOC3LMNAALDH1A1
SCHEMBL12473708 0.78 TAAR1 (0.50) TAAR1IDO1AOC3LMNAALDH1A1
SCHEMBL11456607 0.77 TAAR1 (0.56) TAAR1IDO1AOC3LMNAALDH1A1
SCHEMBL12954591 0.77 TAAR1 (0.56) TAAR1IDO1AOC3LMNAALDH1A1
SCHEMBL248425 0.76 TAAR1 (0.48) TAAR1IDO1AOC3LMNAALDH1A1
SCHEMBL30079047 0.76 TAAR1 (0.48) TAAR1IDO1AOC3LMNAALDH1A1
SCHEMBL21633667 0.76 TAAR1 (0.48) TAAR1IDO1AOC3LMNAALDH1A1
SCHEMBL3634562 0.76 TAAR1 (0.48) TAAR1IDO1AOC3LMNAALDH1A1
SCHEMBL28748396 0.76 TAAR1 (0.48) TAAR1IDO1AOC3LMNAALDH1A1
SCHEMBL168715 0.76 TAAR1 (0.48) TAAR1IDO1AOC3LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10744127-B2 MDR-reversing 8-hydroxy-quinoline derivatives MAGYAR TUDOMÁNYOS AKADÉMIA TERMÉSZETTUDOMÁNYI KUTATÓKÖZPONT (HU) 2020-08-18 US claimed
US-20190151306-A1 MDR-REVERSING 8-HYDROXY-QUINOLINE DERIVATIVES MAGYAR TUDOMÁNYOS AKADÉMIA TERMÉSZETTUDOMÁNYI KUTATÓKÖZPONT (HU) 2019-05-23 US 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 (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-20190151306-A1 MDR-REVERSING 8-HYDROXY-QUINOLINE DERIVATIVES ABCC1, ABCB1, ABCC8 TAAR1 4554/4885IDO1 3317/4885AOC3 4742/4885
US-10744127-B2 MDR-reversing 8-hydroxy-quinoline derivatives ABCC1, ABCB1, ABCC8 TAAR1 4554/4885IDO1 3317/4885AOC3 4742/4885

“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.