SCHEMBL15079020

SCHEMBL15079020

O=C(N/C=C\c1ccccc1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 1.00
RAB9A P51151 4/20 1.00
HDAC1 Q13547 5/20 0.58
MAPT P10636 5/20 0.57
ALDH1A1 P00352 5/20 0.57
CYP3A4 P08684 1/20 0.57
HDAC2 Q92769 4/20 0.54
HDAC6 Q9UBN7 4/20 0.54
HDAC3 O15379 3/20 0.54
HDAC8 Q9BY41 3/20 0.54
HDAC7 Q8WUI4 2/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
IDO1 P14902 1/20 0.54
ALOX15 P16050 1/20 0.54
CA9 Q16790 1/20 0.54
HSD17B10 Q99714 1/20 0.54
NCOR2 Q9Y618 1/20 0.54
LMNA P02545 5/20 0.52
PLIN1 O60240 2/20 0.52

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
SCHEMBL3639135 1.00 NPC1 (1.00) NPC1RAB9AHDAC1MAPTALDH1A1
SCHEMBL7390245 1.00 NPC1 (1.00) NPC1RAB9AHDAC1MAPTALDH1A1
SCHEMBL6551916 0.89 RAB9A (0.80) NPC1RAB9AHDAC1MAPTALDH1A1
SCHEMBL23296071 0.88 NPC1 (0.77) NPC1RAB9AHDAC1MAPTALDH1A1
SCHEMBL23296056 0.88 RAB9A (0.77) NPC1RAB9AHDAC1MAPTALDH1A1
SCHEMBL23295214 0.88 NPC1 (0.77) NPC1RAB9AHDAC1MAPTALDH1A1
SCHEMBL23295248 0.88 NPC1 (0.77) NPC1RAB9AHDAC1MAPTALDH1A1
SCHEMBL21616520 0.88 NPC1 (0.77) NPC1RAB9AHDAC1MAPTALDH1A1
SCHEMBL21616524 0.88 RAB9A (0.77) NPC1RAB9AHDAC1MAPTALDH1A1
SCHEMBL21616479 0.88 NPC1 (0.77) NPC1RAB9AHDAC1MAPTALDH1A1

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
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
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
WO-2013096971-A1 ASYMMETRIC ELECTROPHILIC FLUORINATION USING AN ANIONIC CHIRAL PHASE-TRANSFER CATALYST THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-06-27 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-20140350253-A1 ASYMMETRIC ELECTROPHILIC FLUORINATION USING AN ANIONIC CHIRAL PHASE-TRANSFER CATALYST GFPT1, NUDT1, INF2 NPC1 675/4885RAB9A 1803/4885HDAC1 3178/4885

“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.