SCHEMBL3701935

SCHEMBL3701935

Nc1ccc(-c2csc(Cc3ccccc3)n2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.65
LOXL2 Q9Y4K0 2/20 0.58
TAAR1 Q96RJ0 1/20 0.56
ALDH1A1 P00352 5/20 0.56
MEN1 O00255 3/20 0.56
MAPT P10636 3/20 0.56
KMT2A Q03164 3/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
CD74 P04233 1/20 0.56
MIF P14174 1/20 0.56
NAMPT P43490 1/20 0.52
LMNA P02545 2/20 0.51
KDM4E B2RXH2 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ATP4A P20648 1/20 0.50
ATP4B P51164 1/20 0.50

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
SCHEMBL14133319 0.89 ALDH1A1 (0.64) LTA4HLOXL2TAAR1ALDH1A1MEN1
SCHEMBL14684000 0.85 ALDH1A1 (0.56) LTA4HLOXL2ALDH1A1MEN1MAPT
SCHEMBL12297165 0.84 SREBF2 (0.62) LTA4HLOXL2TAAR1ALDH1A1MEN1
SCHEMBL6980737 0.84 KMT2A (0.60) LTA4HLOXL2TAAR1ALDH1A1MEN1
SCHEMBL28705889 0.81 LTA4H (0.71) LTA4HLOXL2ALDH1A1MEN1MAPT
SCHEMBL10374749 0.79 ALDH1A1 (0.50) LTA4HLOXL2TAAR1ALDH1A1MEN1
SCHEMBL18074821 0.79 LTA4H (1.00) LTA4HALDH1A1MEN1MAPTKMT2A
SCHEMBL12297163 0.79 MEN1 (0.53) LTA4HLOXL2TAAR1ALDH1A1MEN1
SCHEMBL2220623 0.77 LOXL2 (0.51) LTA4HLOXL2TAAR1ALDH1A1MEN1
SCHEMBL2220170 0.77 SREBF2 (0.70) LTA4HALDH1A1MEN1MAPTKMT2A

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-10093624-B2 NAMPT and ROCK inhibitors ABBVIE INC. (US) 2018-10-09 US disclosed
US-9302989-B2 NAMPT and rock inhibitors ABBVIE INC. (US) 2016-04-05 US disclosed
US-20160031880-A1 Nampt and Rock Inhibitors ABBVIE INC. (US) 2016-02-04 US disclosed
EP-2640698-A1 NAMPT AND ROCK INHIBITORS AbbVie Inc. (US) 2013-09-25 EP disclosed
WO-2012067965-A1 NAMPT AND ROCK INHIBITORS ABBOTT LABORATORIES (US) 2012-05-24 WO disclosed
US-20120122842-A1 NAMPT AND ROCK INHIBITORS ABBOTT LABORATORIES (US) 2012-05-17 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-10093624-B2 NAMPT and ROCK inhibitors NAMPT, NNMT, NADK LTA4H 2169/4885LOXL2 2846/4885TAAR1 3909/4885
US-20120122842-A1 NAMPT AND ROCK INHIBITORS NAMPT, NNMT, NME2 LTA4H 2366/4885LOXL2 1587/4885TAAR1 4154/4885
US-20160031880-A1 Nampt and Rock Inhibitors NAMPT, NNMT, NME2 LTA4H 2366/4885LOXL2 1587/4885TAAR1 4154/4885

“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.