SCHEMBL26567985

SCHEMBL26567985

Cc1ccc2sc([C@H]3C[C@H](C)C3)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
TP53 P04637 2/20 0.43
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
DYRK1A Q13627 1/20 0.42
UBE2M P61081 3/20 0.39
DCUN1D1 Q96GG9 3/20 0.39
LMNA P02545 3/20 0.39
ALDH1A1 P00352 4/20 0.39
ALOX12 P18054 3/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ROCK2 O75116 1/20 0.37
THRB P10828 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34

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
SCHEMBL13082023 0.81 NPC1 (0.49) MAPTSMN1; SMN2TP53RAB9ANPC1
SCHEMBL20135675 0.79 NPC1 (0.68) MAPTSMN1; SMN2TP53RAB9ANPC1
SCHEMBL29688848 0.79 NPC1 (0.68) MAPTSMN1; SMN2TP53RAB9ANPC1
SCHEMBL23010591 0.78 UBE2M (0.50) MAPTSMN1; SMN2TP53RAB9ANPC1
SCHEMBL17058991 0.78 KMT2A (0.58) MAPTSMN1; SMN2TP53UBE2MDCUN1D1
SCHEMBL25322705 0.71 NPC1 (0.42) MAPTTP53RAB9ANPC1DYRK1A
SCHEMBL30470822 0.71 NPC1 (0.61) MAPTSMN1; SMN2TP53RAB9ANPC1
SCHEMBL29347034 0.71 NPC1 (0.61) MAPTSMN1; SMN2TP53RAB9ANPC1
SCHEMBL92781 0.70 SMN1; SMN2 (0.61) MAPTSMN1; SMN2TP53RAB9ANPC1
SCHEMBL25321977 0.70 DYRK1A (0.38) MAPTTP53RAB9ANPC1DYRK1A

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-20230331715-A1 SPIRO[3.3]HEPTANE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-10-19 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 (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-20230331715-A1 SPIRO[3.3]HEPTANE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HAVCR2, NR1I3, NR1H4 MAPT 4173/4885SMN1; SMN2 2995/4885TP53 1506/4885

“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.