SCHEMBL27440488

SCHEMBL27440488

CCc1ccc2c(c1)Cc1nc(C)c(C)nc1-2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.47
ALDH1A1 P00352 4/20 0.47
RAB9A P51151 4/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
NPC1 O15118 3/20 0.33
LMNA P02545 2/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
EIF2AK1 Q9BQI3 1/20 0.32
HTT P42858 2/20 0.31
MEN1 O00255 1/20 0.31
RAD52 P43351 1/20 0.31

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
SCHEMBL27440494 0.91 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1RAB9AMAPTKDM4E
SCHEMBL27440492 0.76 ACHE (0.35) SMN1; SMN2ALDH1A1RAB9AMAPTKDM4E
SCHEMBL27440490 0.76 ALDH1A1 (0.33) SMN1; SMN2ALDH1A1RAB9AMAPTKDM4E
SCHEMBL4894905 0.73 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1RAB9AMAPTKDM4E
SCHEMBL27404178 0.73 KDM4E (0.50) SMN1; SMN2ALDH1A1RAB9AMAPTKDM4E
SCHEMBL10356745 0.73 RAB9A (0.46) SMN1; SMN2ALDH1A1RAB9AMAPTKDM4E
SCHEMBL27440495 0.70 EIF2AK1 (0.33) SMN1; SMN2ALDH1A1RAB9AMAPTKDM4E
SCHEMBL17666102 0.67 NPC1 (0.46) SMN1; SMN2ALDH1A1RAB9AMAPTKDM4E
SCHEMBL27440497 0.67 ACHE (0.37) SMN1; SMN2ALDH1A1RAB9AMAPTKDM4E
SCHEMBL27440498 0.67 C5AR1 (0.36) SMN1; SMN2ALDH1A1RAB9AMAPTKDM4E

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-12030890-B2 Compounds with diazadibenzofurane or diazadibenzothiophene structures MERCK PATENT GMBH (DE) 2024-07-09 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-12030890-B2 Compounds with diazadibenzofurane or diazadibenzothiophene structures DDT, ESD, DBF4 SMN1; SMN2 4234/4885ALDH1A1 722/4885RAB9A 4562/4885

“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.