SCHEMBL24590366

SCHEMBL24590366

COc1ccc(NC(=O)NNC(C)C)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.68
NPC1 O15118 6/20 0.68
SMN1; SMN2 Q16637 5/20 0.68
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
PKM P14618 1/20 0.60
MAPT P10636 2/20 0.57
KDM4E B2RXH2 2/20 0.57
SAE1 Q9UBE0 1/20 0.57
UBA2 Q9UBT2 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
HPGD P15428 1/20 0.57
CYP2C19 P33261 1/20 0.57
TP53 P04637 3/20 0.55
ESR2 Q92731 1/20 0.55
NOX1 Q9Y5S8 1/20 0.55
TGM2 P21980 1/20 0.54
TSHR P16473 1/20 0.54

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
SCHEMBL13754451 0.83 RAB9A (0.72) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL11092496 0.82 RAB9A (1.00) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL18810399 0.81 RAB9A (0.75) RAB9ANPC1SMN1; SMN2MEN1KMT2A
Benzene SCHEMBL11582041 0.80 RAB9A (0.68) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL27941644 0.79 RAB9A (0.72) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL1897292 0.79 RAB9A (0.85) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL19478551 0.78 SMN1; SMN2 (0.58) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL4118269 0.78 RAB9A (1.00) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL4117703 0.78 SMN1; SMN2 (0.76) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL11875380 0.77 RAB9A (0.81) RAB9ANPC1SMN1; SMN2MEN1KMT2A

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-20220204497-A1 NOVEL COMPOUND HAVING ANTICANCER ACTIVITY, AND METHOD FOR PRODUCING SAME DONGGUK UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2022-06-30 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-20220204497-A1 NOVEL COMPOUND HAVING ANTICANCER ACTIVITY, AND METHOD FOR PRODUCING SAME TPX2, AIMP2, CDYL2 RAB9A 2686/4885NPC1 1722/4885SMN1; SMN2 1981/4885

“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.