SCHEMBL3705255

SCHEMBL3705255

O=C1[N]N=C(C(F)(F)F)c2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.34
PSMB8 P28062 1/20 0.33
NOTUM Q6P988 1/20 0.33
PKM P14618 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CDC25B P30305 2/20 0.32
ALDH1A1 P00352 2/20 0.31
MAOB P27338 2/20 0.31
C1R P00736 1/20 0.31
MAOA P21397 2/20 0.31
KDM4E B2RXH2 1/20 0.31
CES2 O00748 1/20 0.31
APAF1 O14727 1/20 0.31
TERT O14746 1/20 0.31
NPC1 O15118 1/20 0.31
PLIN1 O60240 1/20 0.31
TDP2 O95551 1/20 0.31
S1PR4 O95977 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL149617 0.79 HSD11B1 (0.36) HSD11B1PSMB8NOTUMPKMMEN1
SCHEMBL5600110 0.75 HSD11B1 (0.32) HSD11B1NOTUMALDH1A1TSHR
SCHEMBL3698764 0.72 MEN1 (0.36) NOTUMMEN1KMT2ACDC25BMAOB
SCHEMBL2072302 0.68 CDC25B (0.39) PKMMEN1KMT2ACDC25BALDH1A1
SCHEMBL3705773 0.63 CES1 (0.40) HSD11B1PSMB8NOTUMMEN1KMT2A
SCHEMBL3713243 0.63 ALDH1A1 (0.38) MEN1KMT2ACDC25BALDH1A1MAOB
SCHEMBL1775456 0.62 PTGS2 (0.37) HSD11B1PKMALDH1A1NPC1HTT
SCHEMBL112133 0.62 MEN1 (0.50) MEN1KMT2ACDC25BALDH1A1MAOB
SCHEMBL19888 0.62 MEN1 (0.50) MEN1KMT2ACDC25BALDH1A1MAOB
SCHEMBL29714477 0.62 MEN1 (0.50) MEN1KMT2ACDC25BALDH1A1MAOB

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 29 patents — showing the first 20. 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
EP-2776393-B1 NAMPT INHIBITORS ABBVIE INC (US) 2017-12-20 EP disclosed
US-9758511-B2 NAMPT inhibitors ABBVIE INC. (US) 2017-09-12 US disclosed
US-20170253562-A1 Nampt Inhibitors ABBVIE INC (US) 2017-09-07 US disclosed
US-20170135994-A9 NAMPT INHIBITORS ABBVIE INC. (US) 2017-05-18 US disclosed
US-20170065575-A1 NAMPT INHIBITORS ABBVIE INC (US) 2017-03-09 US disclosed
US-20160193209-A1 NAMPT INHIBITORS ABBVIE INC. (US) 2016-07-07 US disclosed
US-20160184281-A1 NAMPT INHIBITORS ABBVIE INC. (US) 2016-06-30 US disclosed
US-20160184282-A1 NAMPT INHIBITORS ABBVIE INC. (US) 2016-06-30 US disclosed
US-20160168134-A1 NAMPT INHIBITORS ABBVIE INC. (US) 2016-06-16 US disclosed
US-20140336168-A1 NAMPT INHIBITORS ABBVIE INC. 2014-11-13 US disclosed
US-20140336167-A1 NAMPT INHIBITORS ABBVIE INC. (US) 2014-11-13 US disclosed
EP-2776393-A1 NAMPT INHIBITORS Abbvie Inc. (US) 2014-09-17 EP disclosed
US-20130303509-A1 NAMPT INHIBITORS ABBVIE INC. (US) 2013-11-14 US disclosed
US-20130303508-A1 NAMPT INHIBITORS ABBVIE INC. (US) 2013-11-14 US disclosed
US-20130303510-A1 NAMPT INHIBITORS ABBVIE INC. (US) 2013-11-14 US disclosed
US-20130303511-A1 NAMPT INHIBITORS ABBVIE INC. (US) 2013-11-14 US disclosed
WO-2013067710-A1 NAMPT INHIBITORS ABBOTT LABORATORIES (US) 2013-05-16 WO disclosed
US-20120122842-A1 NAMPT AND ROCK INHIBITORS ABBOTT LABORATORIES (US) 2012-05-17 US disclosed
US-20120122924-A1 NAMPT 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 (16 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-20120122924-A1 NAMPT INHIBITORS NAMPT, NNMT, NAPRT HSD11B1 2533/4885PSMB8 3349/4885NOTUM 2800/4885
US-10093624-B2 NAMPT and ROCK inhibitors NAMPT, NNMT, NADK HSD11B1 3099/4885PSMB8 4642/4885NOTUM 2430/4885
US-20160168134-A1 NAMPT INHIBITORS NAMPT, NNMT, NAPRT HSD11B1 2533/4885PSMB8 3349/4885NOTUM 2800/4885
US-20120122842-A1 NAMPT AND ROCK INHIBITORS NAMPT, NNMT, NME2 HSD11B1 1692/4885PSMB8 4527/4885NOTUM 2598/4885
US-20130303508-A1 NAMPT INHIBITORS NAMPT, NNMT, NAPRT HSD11B1 2533/4885PSMB8 3349/4885NOTUM 2800/4885
US-20160184282-A1 NAMPT INHIBITORS NAMPT, NNMT, NAPRT HSD11B1 2533/4885PSMB8 3349/4885NOTUM 2800/4885
US-20130303511-A1 NAMPT INHIBITORS NAMPT, NNMT, NAPRT HSD11B1 2533/4885PSMB8 3349/4885NOTUM 2800/4885
US-20170253562-A1 Nampt Inhibitors NAMPT, NNMT, NAPRT HSD11B1 2533/4885PSMB8 3349/4885NOTUM 2800/4885
US-20170065575-A1 NAMPT INHIBITORS NAMPT, NNMT, NAPRT HSD11B1 2533/4885PSMB8 3349/4885NOTUM 2800/4885
US-20140336168-A1 NAMPT INHIBITORS NAMPT, NNMT, NAPRT HSD11B1 2533/4885PSMB8 3349/4885NOTUM 2800/4885
US-20160184281-A1 NAMPT INHIBITORS NAMPT, NNMT, NAPRT HSD11B1 2533/4885PSMB8 3349/4885NOTUM 2800/4885
US-20140336167-A1 NAMPT INHIBITORS NAMPT, NNMT, NAPRT HSD11B1 2533/4885PSMB8 3349/4885NOTUM 2800/4885
US-20130303510-A1 NAMPT INHIBITORS NAMPT, NNMT, NAPRT HSD11B1 2533/4885PSMB8 3349/4885NOTUM 2800/4885
US-20170135994-A9 NAMPT INHIBITORS NAMPT, NNMT, NAPRT HSD11B1 2533/4885PSMB8 3349/4885NOTUM 2800/4885
US-20160193209-A1 NAMPT INHIBITORS NAMPT, NNMT, NAPRT HSD11B1 2533/4885PSMB8 3349/4885NOTUM 2800/4885
US-20130303509-A1 NAMPT INHIBITORS NAMPT, NNMT, NAPRT HSD11B1 2533/4885PSMB8 3349/4885NOTUM 2800/4885

“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.