SCHEMBL3710955

SCHEMBL3710955

O=Cc1ccc(NC(=O)n2cc3ccccc3c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.37
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 2/20 0.37
RAD51 Q06609 1/20 0.36
CYP2A6 P11509 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
NAMPT P43490 3/20 0.36
TAS1R3 Q7RTX0 2/20 0.36
TAS1R1 Q7RTX1 2/20 0.36
TAS1R2 Q8TE23 2/20 0.36
FAAH O00519 1/20 0.35
ALDH5A1 P51649 1/20 0.34
ABAT P80404 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
P2RX4 Q99571 1/20 0.34
MAOB P27338 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL701869 0.80 TAS1R3 (0.55) ALDH1A1NPC1MAPTRAB9ATAS1R3
SCHEMBL3706029 0.80 MAOA (0.53) ALDH1A1KDM4ENPC1MAPTRAB9A
SCHEMBL703043 0.80 TAS1R3 (0.55) ALDH1A1NPC1MAPTRAB9ANAMPT
SCHEMBL3709539 0.80 MAPT (0.50) ALDH1A1KDM4ENPC1MAPTRAB9A
SCHEMBL3700860 0.76 NAMPT (0.58) ALDH1A1KDM4ENPC1MAPTRAB9A
SCHEMBL3704418 0.76 CYP2C9 (0.43) ALDH1A1KDM4ENPC1MAPTRAB9A
SCHEMBL702786 0.76 TAS1R3 (0.58) ALDH1A1KDM4ENPC1MAPTRAB9A
SCHEMBL3710546 0.75 MEN1 (0.56) NPC1MAPTRAB9ANAMPTMEN1
SCHEMBL3706856 0.74 NAMPT (0.43) CYP2A6NAMPTFAAH
SCHEMBL3710956 0.73 NAMPT (0.68) NPC1RAB9ANAMPTTAS1R3TAS1R1

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 112/4885ALDH1A1 2558/4885KDM4E 2048/4885
US-20120122842-A1 NAMPT AND ROCK INHIBITORS NAMPT, NNMT, NME2 HDAC1 111/4885ALDH1A1 2689/4885KDM4E 3173/4885
US-20160031880-A1 Nampt and Rock Inhibitors NAMPT, NNMT, NME2 HDAC1 111/4885ALDH1A1 2689/4885KDM4E 3173/4885

“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.