SCHEMBL28884

SCHEMBL28884

Cc1ccc(B(Cl)c2ccc(C)s2)s1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.34
MAPT P10636 2/20 0.34
DAO P14920 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
PRMT6 Q96LA8 1/20 0.33
TSHR P16473 1/20 0.31
ALDH1A1 P00352 1/20 0.30
GFER P55789 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL8780853 0.69 MAPT (0.48) NPC1MAPTDAOCASP3RAB9A
SCHEMBL64283 0.69
SCHEMBL19048533 0.67 DAO (0.34) NPC1MAPTDAOCASP3RAB9A
Hydrogen Sulfide SCHEMBL5894730 0.66
SCHEMBL12266219 0.64 TRPV6 (0.50) NPC1MAPTDAORAB9ASMN1; SMN2
SCHEMBL29764 0.61 NPC1 (0.52) NPC1MAPTDAOCASP3RAB9A
SCHEMBL2973935 0.61
SCHEMBL12982405 0.59 NPC1 (0.50) NPC1MAPTDAOCASP3RAB9A
SCHEMBL12170048 0.59 NPC1 (0.50) NPC1MAPTDAOCASP3RAB9A
SCHEMBL120939 0.59 NPC1 (0.50) NPC1MAPTDAOCASP3RAB9A

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-10732333-B2 Infrared sensor, near-infrared ray absorption composition, photosensitive resin composition, compound, near-infrared ray absorption filter, and image pick-up device FUJIFILM CORPORATION (JP) 2020-08-04 US disclosed
US-20170038507-A1 INFRARED SENSOR, NEAR-INFRARED RAY ABSORPTION COMPOSITION, PHOTOSENSITIVE RESIN COMPOSITION, COMPOUND, NEAR-INFRARED RAY ABSORPTION FILTER, AND IMAGE PICK-UP DEVICE FUJIFILM CORPORATION (JP) 2017-02-09 US disclosed
WO-2012025760-A1 PROCESS FOR THE BORYLATION OF ARENES AND HETEROARYLS THE UNIVERSITY OF MANCHESTER (GB) 2012-03-01 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 (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-20170038507-A1 INFRARED SENSOR, NEAR-INFRARED RAY ABSORPTION COMPOSITION, PHOTOSENSITIVE RESIN COMPOSITION, COMPOUND, NEAR-INFRARED RAY ABSORPTION FILTER, AND IMAGE PICK-UP DEVICE TAS2R39, TAS1R1, TAS1R2 NPC1 649/4885MAPT 621/4885DAO 3240/4885
US-10732333-B2 Infrared sensor, near-infrared ray absorption composition, photosensitive resin composition, compound, near-infrared ray absorption filter, and image pick-up device TAS2R39, TAS1R1, TAS1R2 NPC1 649/4885MAPT 621/4885DAO 3240/4885

“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.