SCHEMBL5452210

SCHEMBL5452210

COc1cc(NC(=O)Nc2ccc(C3=CCN(C(=O)Nc4ncccc4C)CC3)cc2)cc(OC)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.55
NPC1 O15118 6/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
KDM4E B2RXH2 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NAMPT P43490 6/20 0.48
LIMK1 P53667 5/20 0.47
LIMK2 P53671 5/20 0.47
ALDH1A1 P00352 2/20 0.46
ALOX15 P16050 2/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46

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
SCHEMBL5469430 0.88 NAMPT (0.47) RAB9ANPC1SMN1; SMN2NAMPTLIMK1
SCHEMBL5473690 0.88 GFER (0.60) RAB9ANPC1SMN1; SMN2KDM4ECYP1A2
SCHEMBL5462735 0.86 GFER (0.48) RAB9ANPC1SMN1; SMN2KDM4ECYP1A2
SCHEMBL5461007 0.82 RAB9A (0.51) RAB9ANPC1SMN1; SMN2KDM4ECYP1A2
SCHEMBL5456879 0.82 RAB9A (0.59) RAB9ANPC1SMN1; SMN2KDM4ECYP1A2
SCHEMBL5465534 0.81 NPC1 (0.53) RAB9ANPC1SMN1; SMN2KDM4ECYP1A2
SCHEMBL5464796 0.80 RAB9A (0.57) RAB9ANPC1SMN1; SMN2KDM4ECYP1A2
SCHEMBL5458429 0.80 TDP1 (0.52) RAB9ANPC1SMN1; SMN2KDM4ENAMPT
SCHEMBL5460612 0.78 TRPV1 (0.48) RAB9ASMN1; SMN2NAMPTALDH1A1MAPT
SCHEMBL5460127 0.78 MAPT (0.47) RAB9ANPC1SMN1; SMN2NAMPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070249620-A1 Urea Derivative SANKYO COMPANY, LIMITED (JP) 2007-10-25 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-20070249620-A1 Urea Derivative UGP2, SLC14A1, DGAT1 RAB9A 1528/4885NPC1 1089/4885SMN1; SMN2 4424/4885

“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.