SCHEMBL29980877

SCHEMBL29980877

[O-][S+](Cc1cc(F)cc(F)c1)c1ccc2ccccc2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.38
RAB9A P51151 5/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.38
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
EGLN1 Q9GZT9 1/20 0.37
MAPT P10636 5/20 0.35
CYP1A2 P05177 2/20 0.34
CYP2A6 P11509 1/20 0.34
AR P10275 3/20 0.34
CCNE2 O96020 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
LMNA P02545 2/20 0.33
HSD17B14 Q9BPX1 1/20 0.33
POLB P06746 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
SCHEMBL20338487 1.00 NPC1 (0.38) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL29980221 0.89 SMN1; SMN2 (0.39) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL20338493 0.89 SMN1; SMN2 (0.39) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL20338491 0.79 SMN1; SMN2 (0.47) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL29980750 0.79 SMN1; SMN2 (0.47) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL20338490 0.75 CHRNA7 (0.39) KDM4EALDH1A1CYP1A2LMNAPOLB
SCHEMBL28294004 0.73 MAPT (0.48) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL4515157 0.73 CYP1A2 (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL20338483 0.70 NR4A2 (0.36) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL29981160 0.70 NR4A2 (0.36) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1

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-11464770-B2 Anticancer pharmaceutical composition KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2022-10-11 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-11464770-B2 Anticancer pharmaceutical composition MYC, MYCBP, TP53 NPC1 459/4885RAB9A 3244/4885SMN1; SMN2 2994/4885

“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.