SCHEMBL14440319

SCHEMBL14440319

CC(C)(C)Nc1ccc(NC(=O)c2cnc3ccccc3c2O)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
KDR P35968 2/20 0.43
MAPT P10636 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP3A4 P08684 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 1/20 0.41
PLG P00747 2/20 0.41
KLK1 P06870 2/20 0.41
KLK6 Q92876 2/20 0.41
DNMT1 P26358 1/20 0.41
DNMT3L Q9UJW3 1/20 0.41
DNMT3A Q9Y6K1 1/20 0.41

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
SCHEMBL11022900 0.85 DEGS1 (0.55) L3MBTL1KDRMAPTGAANPC1
SCHEMBL14440028 0.85 KDR (0.46) L3MBTL1KDRMAPTCYP1A2CYP2D6
SCHEMBL7311449 0.83 CYP1A2 (0.55) KDRMAPTCYP1A2CYP2D6CYP2C19
Ammonia Solution, Strong SCHEMBL11078541 0.83 DEGS1 (0.52) L3MBTL1KDRMAPTGAANPC1
SCHEMBL11054487 0.83 NPC1 (0.62) L3MBTL1MAPTMEN1KMT2AGAA
SCHEMBL6669901 0.83 KDM4E (0.47) L3MBTL1MAPTMEN1KMT2A
SCHEMBL11030464 0.82 CYP3A4 (0.58) MAPTCYP3A4MEN1KMT2AGAA
SCHEMBL18341392 0.82 SMN1; SMN2 (0.53) CYP1A2CYP2C19CYP2C9CYP3A4GAA
Acetic Acid SCHEMBL11081190 0.81 CYP1A2 (0.54) L3MBTL1KDRMAPTCYP1A2CYP2D6
Acetic Acid SCHEMBL11077477 0.80 CYP3A4 (0.57) L3MBTL1MAPTCYP1A2CYP2D6CYP2C19

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070197533-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-08-23 US disclosed
US-7223759-B2 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-05-29 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 (1 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-20070197533-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds DDC, DPP3, AMPD3 L3MBTL1 2152/4885KDR 4684/4885MAPT 2536/4885

“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.