SCHEMBL20575606

SCHEMBL20575606

COc1cccc(N2C=C3CCCN3C2c2ccc3ncsc3c2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
PFKFB3 Q16875 1/20 0.35
MAPT P10636 6/20 0.34
ALDH1A1 P00352 6/20 0.34
KDM4E B2RXH2 4/20 0.34
HTT P42858 2/20 0.34
LMNA P02545 2/20 0.34
ALOX5 P09917 1/20 0.34
NPC1 O15118 5/20 0.33
RAB9A P51151 4/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
CPT2 P23786 1/20 0.33
CPT1A P50416 1/20 0.33
GAA P10253 2/20 0.33
HPGD P15428 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
USP2 O75604 2/20 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
SCHEMBL20575162 0.87 NPC1 (0.38) SLC6A2SLC6A4SLC6A3MAPTALDH1A1
SCHEMBL20575637 0.87 NPC1 (0.36) SLC6A2SLC6A4SLC6A3MAPTALDH1A1
SCHEMBL20575554 0.84 NPC1 (0.38) MAPTALDH1A1HTTLMNAALOX5
SCHEMBL20575191 0.81 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3ALDH1A1KDM4E
SCHEMBL20575667 0.81 KDM1A (0.35) SLC6A2SLC6A4SLC6A3ALDH1A1KDM4E
SCHEMBL20575561 0.81 KDM1A (0.35) SLC6A2SLC6A4SLC6A3ALDH1A1KDM4E
SCHEMBL20575474 0.80 TGFBR1 (0.37) SLC6A2SLC6A4SLC6A3PFKFB3MAPT
SCHEMBL20575513 0.76 NT5E (0.38) SLC6A2SLC6A4SLC6A3MAPTALDH1A1
SCHEMBL20575188 0.76 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3MAPTALDH1A1
SCHEMBL20575579 0.74 RAB9A (0.40) MAPTALDH1A1KDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10696693-B2 Fused imidazole derivatives as TGF-beta inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2020-06-30 US disclosed
US-20180346487-A1 Fused Imidazole Derivatives as TGF-Beta Inhibitors MIDCAP FINANCIAL TRUST 2018-12-06 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-10696693-B2 Fused imidazole derivatives as TGF-beta inhibitors TGFBR1, TGFBR2, SMAD3 SLC6A2 3506/4885SLC6A4 3203/4885SLC6A3 3576/4885
US-20180346487-A1 Fused Imidazole Derivatives as TGF-Beta Inhibitors TGFBR1, TGFBR2, SMAD3 SLC6A2 3506/4885SLC6A4 3203/4885SLC6A3 3576/4885

“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.