SCHEMBL3553310

SCHEMBL3553310

Cc1csc(C2CCOCC2)n1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OGA O60502 1/20 0.44
CHRM4 P08173 1/20 0.38
TGFBR1 P36897 1/20 0.38
GRM5 P41594 3/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
NOS1 P29475 1/20 0.36
RAB9A P51151 3/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
F2RL3 Q96RI0 1/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 1/20 0.33
TRPV1 Q8NER1 2/20 0.32

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
SCHEMBL6840373 0.86
Ammonia Solution, Strong SCHEMBL27924535 0.84 OGA (0.45) OGASMN1; SMN2NOS1RAB9ANPC1
SCHEMBL12791651 0.82 OGA (0.44) OGATGFBR1SMN1; SMN2NOS1RAB9A
SCHEMBL5291304 0.81 RAB9A (0.46) OGACHRM4TGFBR1GRM5SMN1; SMN2
SCHEMBL24676000 0.81 OGA (0.40) OGAGRM5SMN1; SMN2NOS1RAB9A
SCHEMBL25933456 0.78 OGA (0.40) OGASMN1; SMN2NOS1RAB9AALDH1A1
SCHEMBL1042507 0.78 HPGDS (0.47) OGACHRM4TGFBR1SMN1; SMN2NOS1
SCHEMBL16603219 0.77 SLC6A3 (0.39) SMN1; SMN2RAB9ANPC1F2RL3
SCHEMBL14212538 0.76 OGA (0.49) OGASMN1; SMN2NOS1ALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL17541611 0.76 HPGDS (0.46) OGACHRM4TGFBR1SMN1; SMN2NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339952-A1 MACROCYCLIC HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2023-10-26 US disclosed
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 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 (2 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-20230339952-A1 MACROCYCLIC HETEROCYCLES AND USES THEREOF HRAS, KRAS, TP53 OGA 2234/4885CHRM4 4846/4885TGFBR1 3359/4885
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 OGA 2003/4885CHRM4 587/4885TGFBR1 242/4885

“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.