SCHEMBL16263338

SCHEMBL16263338

O=C(/N=C1/c2ccccc2CC1(F)c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ ALDH1A1 P00352 4/20 0.34
▸ GAA P10253 1/20 0.34
▸ HDAC9 Q9UKV0 1/20 0.34
▸ L3MBTL1 Q9Y468 3/20 0.32
▸ POLB P06746 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ LMNA P02545 2/20 0.32
▸ SRD5A2 P31213 2/20 0.31
▸ SRD5A1 P18405 1/20 0.31
▸ GPR6 P46095 1/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL15079018 0.82 HTT (0.38) TDP1HTTALDH1A1GAAL3MBTL1
SCHEMBL16263343 0.77 HTT (0.43) TDP1HTTALDH1A1GAAL3MBTL1
SCHEMBL20192211 0.77 HTT (0.43) TDP1HTTALDH1A1GAAL3MBTL1
SCHEMBL16263337 0.74 SRD5A1 (0.36) TDP1HTTALDH1A1GAAL3MBTL1
SCHEMBL16263342 0.71 HTT (0.32) TDP1HTTALDH1A1POLBMEN1
SCHEMBL15079060 0.63 HTT (0.40) TDP1HTTALDH1A1GAAL3MBTL1
SCHEMBL16263349 0.62 SRD5A1 (0.38) TDP1HTTALDH1A1GAAL3MBTL1
SCHEMBL28509851 0.60 MAPT (0.41) HTTALDH1A1GAAL3MBTL1MEN1
SCHEMBL28207370 0.60 L3MBTL1 (0.47) TDP1HTTALDH1A1L3MBTL1POLB
SCHEMBL14685281 0.59 IDO1 (0.33) HTTALDH1A1HDAC9L3MBTL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9981977-B2 Asymmetric electrophilic fluorination using an anionic chiral phase-transfer catalyst THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-05-29 — — US disclosed
US-9981977-B2 Asymmetric electrophilic fluorination using an anionic chiral phase-transfer catalyst THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-05-29 — — US disclosed
US-20140350253-A1 ASYMMETRIC ELECTROPHILIC FLUORINATION USING AN ANIONIC CHIRAL PHASE-TRANSFER CATALYST THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-11-27 — — US 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-20140350253-A1 ASYMMETRIC ELECTROPHILIC FLUORINATION USING AN ANIONIC CHIRAL PHASE-TRANSFER CATALYST GFPT1, NUDT1, INF2 TDP1 2260/4885HTT 1333/4885ALDH1A1 1971/4885

“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.

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