SCHEMBL3707472

SCHEMBL3707472

O=C(NNC(=O)c1ccc[nH]1)c1ccc(Br)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.62
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
ALDH1A1 P00352 3/20 0.50
MAPT P10636 2/20 0.50
GAA P10253 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 1/20 0.50
GFER P55789 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TLR7 Q9NYK1 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP1B1 Q16678 1/20 0.49
POLB P06746 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.47
LMNA P02545 1/20 0.46

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
SCHEMBL3164760 0.80 CYP2D6 (0.56) ATMNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL1982518 0.80 POLB (0.68) ATMNPC1RAB9AALDH1A1MAPT
SCHEMBL13481186 0.80 POLB (0.68) ATMNPC1RAB9AALDH1A1MAPT
SCHEMBL27855054 0.78 HDAC3 (0.48) ATMNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL1594360 0.76 RAB9A (0.68) NPC1RAB9AALDH1A1MAPTGAA
SCHEMBL5204640 0.74
SCHEMBL6833856 0.73 MAPT (0.58) MAPTKDM4ETDP1POLBMEN1
SCHEMBL4495878 0.72 ATM (0.61) ATMKDM4EPOLBLMNA
SCHEMBL21419908 0.72 ATM (0.57) ATMNPC1RAB9AALDH1A1GAA
SCHEMBL18953099 0.72

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 ATM 2502/4885NPC1 1017/4885RAB9A 1486/4885
US-20120122842-A1 NAMPT AND ROCK INHIBITORS NAMPT, NNMT, NME2 ATM 2736/4885NPC1 453/4885RAB9A 931/4885
US-20160031880-A1 Nampt and Rock Inhibitors NAMPT, NNMT, NME2 ATM 2736/4885NPC1 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.