SCHEMBL3707574

SCHEMBL3707574

O=C(Nc1ccc(Br)cc1F)N1Cc2ccccc2C1

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 6/20 0.75
TAS1R1 Q7RTX1 6/20 0.75
TAS1R2 Q8TE23 6/20 0.75
NPC1 O15118 5/20 0.58
RAB9A P51151 4/20 0.58
LMNA P02545 3/20 0.55
ALDH1A1 P00352 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
NAMPT P43490 2/20 0.53
THRB P10828 1/20 0.51
MAPT P10636 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
TP53 P04637 1/20 0.48
HPGD P15428 1/20 0.48
ALOX12 P18054 1/20 0.48

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
SCHEMBL705033 0.86 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2NPC1RAB9A
SCHEMBL27102975 0.83 TAS1R3 (0.75) TAS1R3TAS1R1TAS1R2NPC1RAB9A
SCHEMBL24381880 0.81 THRB (0.60) TAS1R3TAS1R1TAS1R2NPC1RAB9A
SCHEMBL29620077 0.81 THRB (0.60) TAS1R3TAS1R1TAS1R2NPC1RAB9A
SCHEMBL16130500 0.79 TAS1R3 (0.74) TAS1R3TAS1R1TAS1R2NPC1RAB9A
SCHEMBL704767 0.78 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2NPC1RAB9A
SCHEMBL13833355 0.78 TAS1R3 (0.80) TAS1R3TAS1R1TAS1R2NPC1RAB9A
SCHEMBL20660701 0.78 MAPT (0.71) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL5279098 0.78 TAS1R3 (0.56) TAS1R3TAS1R1TAS1R2NPC1RAB9A
SCHEMBL3706031 0.76 RAB9A (0.81) TAS1R3TAS1R1TAS1R2NPC1RAB9A

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 TAS1R3 3988/4885TAS1R1 4181/4885TAS1R2 3838/4885
US-20120122842-A1 NAMPT AND ROCK INHIBITORS NAMPT, NNMT, NME2 TAS1R3 4597/4885TAS1R1 4638/4885TAS1R2 4588/4885
US-20160031880-A1 Nampt and Rock Inhibitors NAMPT, NNMT, NME2 TAS1R3 4597/4885TAS1R1 4638/4885TAS1R2 4588/4885

“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.