SCHEMBL3702945

SCHEMBL3702945

N/C(=N\O)c1ccc(NC(=O)n2cc3ccccc3c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.50
HDAC2 Q92769 11/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
ALDH1A1 P00352 1/20 0.49
TP53 P04637 1/20 0.49
HPGD P15428 1/20 0.49
USP2 O75604 1/20 0.45
POLB P06746 1/20 0.45
GFER P55789 1/20 0.45
KDM1A O60341 1/20 0.39
PLAU P00749 2/20 0.38
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
PLG P00747 1/20 0.38
PLAT P00750 1/20 0.38
NAMPT P43490 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL3709539 0.79 MAPT (0.50) NPC1RAB9AALDH1A1POLBGFER
SCHEMBL3702946 0.76 NAMPT (0.68) NAMPT
SCHEMBL3702947 0.76 NAMPT (0.68) NAMPT
SCHEMBL3706029 0.75 MAOA (0.53) NPC1RAB9AALDH1A1TP53MAPT
SCHEMBL703043 0.75 TAS1R3 (0.55) NPC1RAB9AALDH1A1TP53POLB
SCHEMBL701869 0.75 TAS1R3 (0.55) NPC1RAB9AALDH1A1TP53HPGD
SCHEMBL3700860 0.75 NAMPT (0.58) NPC1RAB9AALDH1A1HPGDPOLB
SCHEMBL5592789 0.73 NPC1 (0.56) HDAC1HDAC2NPC1RAB9AALDH1A1
SCHEMBL5592792 0.73 NPC1 (0.56) HDAC1HDAC2NPC1RAB9AALDH1A1
SCHEMBL3710955 0.73 HDAC1 (0.37) HDAC1NPC1RAB9AALDH1A1NAMPT

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 HDAC1 112/4885HDAC2 117/4885NPC1 1017/4885
US-20120122842-A1 NAMPT AND ROCK INHIBITORS NAMPT, NNMT, NME2 HDAC1 111/4885HDAC2 219/4885NPC1 453/4885
US-20160031880-A1 Nampt and Rock Inhibitors NAMPT, NNMT, NME2 HDAC1 111/4885HDAC2 219/4885NPC1 453/4885

“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.