SCHEMBL2874801

SCHEMBL2874801

C=CCSc1ccccn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.61
RAB9A P51151 5/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
TDP1 Q9NUW8 1/20 0.61
EHMT2 Q96KQ7 1/20 0.56
EHMT1 Q9H9B1 1/20 0.56
APOBEC3G Q9HC16 1/20 0.56
TSHR P16473 2/20 0.51
ALDH1A1 P00352 4/20 0.47
KMT2A Q03164 3/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 2/20 0.44
PKM P14618 1/20 0.44
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 3/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALOX15 P16050 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL3647399 1.00 NPC1 (0.61) NPC1RAB9AL3MBTL1TDP1EHMT2
Hydrogen Sulfide SCHEMBL27801563 0.98 NPC1 (0.59) NPC1RAB9AL3MBTL1TDP1EHMT2
SCHEMBL2304581 0.85 NPC1 (0.72) NPC1RAB9AL3MBTL1TDP1EHMT2
SCHEMBL2304577 0.85 NPC1 (0.72) NPC1RAB9AL3MBTL1TDP1EHMT2
SCHEMBL3510033 0.85 EHMT2 (0.57) NPC1RAB9AL3MBTL1TDP1EHMT2
SCHEMBL2391787 0.80 RAB9A (0.61) NPC1RAB9AL3MBTL1TDP1EHMT2
SCHEMBL3955037 0.77
SCHEMBL7205329 0.76 EHMT2 (0.61) NPC1RAB9AL3MBTL1TDP1EHMT2
SCHEMBL28462526 0.76 L3MBTL1 (1.00) NPC1RAB9AL3MBTL1TDP1EHMT2
SCHEMBL10715337 0.76 L3MBTL1 (1.00) NPC1RAB9AL3MBTL1TDP1EHMT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8378340-B2 Aromatic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-02-19 US disclosed
US-20120238765-A1 AROMATIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-20 US disclosed
US-8222426-B2 Aromatic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-07-17 US disclosed
US-7842941-B2 Aromatic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-11-30 US disclosed
US-20100256396-A1 AROMATIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-10-07 US disclosed
US-20070063190-A1 Aromatic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-03-22 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 (3 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-20100256396-A1 AROMATIC COMPOUND AHR, AR, NR0B1 NPC1 1904/4885RAB9A 1837/4885L3MBTL1 1569/4885
US-20070063190-A1 Aromatic compound AHR, AR, NR0B1 NPC1 1826/4885RAB9A 1957/4885L3MBTL1 1394/4885
US-20120238765-A1 AROMATIC COMPOUND AHR, AR, NR0B1 NPC1 1904/4885RAB9A 1837/4885L3MBTL1 1569/4885

“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.