SCHEMBL15007432

SCHEMBL15007432

C[C@H]1C[C@@H](Nc2cc(CCc3ccccc3)ncn2)C[C@H]1O

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAE1 Q13564 2/20 0.63
UBA3 Q8TBC4 2/20 0.63
FUCA1 P04066 5/20 0.36
HTR7 P34969 1/20 0.36
MAPT P10636 1/20 0.35
ESR1 P03372 4/20 0.34
ESR2 Q92731 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
MAP2K7 O14733 1/20 0.34
BACE1 P56817 1/20 0.33
PRCP P42785 1/20 0.33
S1PR1 P21453 1/20 0.33
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
HRH4 Q9H3N8 1/20 0.33

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
SCHEMBL27783607 0.80 NAE1 (0.56) NAE1UBA3HTR7ESR1ESR2
SCHEMBL18527000 0.80 NAE1 (0.56) NAE1UBA3HTR7ESR1ESR2
SCHEMBL15007414 0.73 NAE1 (0.56) NAE1UBA3FUCA1HTR7ESR1
SCHEMBL782862 0.70 NAE1 (0.52) NAE1UBA3
SCHEMBL783020 0.68 NAE1 (0.51) NAE1UBA3HTR7ESR1ESR2
SCHEMBL13754947 0.68 KCNH2 (0.56) ESR1ESR2MAP2K7BACE1
SCHEMBL19633378 0.67 NAE1 (0.39) NAE1UBA3CYP1A2CYP3A4CYP2D6
SCHEMBL752310 0.65 TDP1 (0.54) NAE1UBA3ESR1ESR2MAP2K7
SCHEMBL752939 0.65 KCNH2 (0.47) ESR1ESR2MAP2K7BACE1
SCHEMBL3432650 0.64 MAP2K7 (0.44) NAE1UBA3MAPTESR1ESR2

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-20180290983-A1 INHIBITORS OF NEDD8-ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2018-10-11 US disclosed
US-9850214-B2 Inhibitors of NEDD8-activating enzyme MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-12-26 US disclosed
US-9718788-B2 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-08-01 US disclosed
US-20150011572-A1 INHIBITORS OF NEDD8-ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-01-08 US disclosed
US-8809356-B2 Inhibitors of NEDD8-activating enzyme MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-19 US disclosed
US-20130150388-A1 INHIBITORS OF NEDD8-ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-13 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-20150011572-A1 INHIBITORS OF NEDD8-ACTIVATING ENZYME NEDD8, NAE1, UBA3 NAE1 2/4885UBA3 3/4885FUCA1 4068/4885
US-20180290983-A1 INHIBITORS OF NEDD8-ACTIVATING ENZYME NEDD8, NAE1, UBA3 NAE1 2/4885UBA3 3/4885FUCA1 4068/4885
US-20130150388-A1 INHIBITORS OF NEDD8-ACTIVATING ENZYME NEDD8, NAE1, UBA3 NAE1 2/4885UBA3 3/4885FUCA1 4068/4885

“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.