SCHEMBL3707573

SCHEMBL3707573

O=C(Nc1ccc(Br)cc1F)n1cc2ccccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.56
NPC1 O15118 7/20 0.56
RAB9A P51151 5/20 0.56
ALDH1A1 P00352 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.49
HPGD P15428 2/20 0.49
ALOX12 P18054 2/20 0.49
TP53 P04637 1/20 0.49
KMT2A Q03164 6/20 0.48
MEN1 O00255 4/20 0.48
MAPT P10636 3/20 0.48
GAA P10253 2/20 0.48
HTT P42858 2/20 0.48
CASP3 P42574 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
SHMT2 P34897 1/20 0.46
TSHR P16473 1/20 0.45
ATM Q13315 1/20 0.45

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
SCHEMBL705032 0.85 TAS1R3 (0.59) NPC1RAB9AALDH1A1SMN1; SMN2TP53
SCHEMBL704766 0.78 TAS1R3 (0.58) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL5279093 0.77 DGAT1 (0.37) LMNANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL3707574 0.76 TAS1R3 (0.75) LMNANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL3706029 0.75 MAOA (0.53) LMNANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL5428786 0.75 KIF11 (0.66) LMNANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL31068310 0.75 KIF11 (0.66) LMNANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL2491853 0.73 LMNA (0.66) LMNANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL2898181 0.73 GAA (0.70) LMNANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL13736744 0.72 HDAC1 (0.50) NPC1RAB9A

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 LMNA 1648/4885NPC1 1017/4885RAB9A 1486/4885
US-20120122842-A1 NAMPT AND ROCK INHIBITORS NAMPT, NNMT, NME2 LMNA 758/4885NPC1 453/4885RAB9A 931/4885
US-20160031880-A1 Nampt and Rock Inhibitors NAMPT, NNMT, NME2 LMNA 758/4885NPC1 453/4885RAB9A 931/4885

“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.