SCHEMBL22602010

SCHEMBL22602010

Cc1ccc(CSc2ccc(N)c(Cl)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 3/20 0.47
NPC1 O15118 1/20 0.47
CYP3A4 P08684 1/20 0.46
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
DAO P14920 1/20 0.41
RECQL P46063 1/20 0.41
SCN9A Q15858 1/20 0.40
CYP1A2 P05177 1/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
IDO1 P14902 2/20 0.39
HDAC3 O15379 1/20 0.38
NCOR1 O75376 1/20 0.38
HDAC4 P56524 1/20 0.38

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
SCHEMBL20132348 0.87 RAB9A (0.47) RAB9AMEN1KMT2AALDH1A1NPC1
SCHEMBL19681869 0.78 MEN1 (0.41) RAB9AMEN1KMT2AALDH1A1NPC1
SCHEMBL11601101 0.76 ALDH1A1 (0.56) RAB9AMEN1KMT2AALDH1A1NPC1
SCHEMBL10657873 0.75 MEN1 (0.67) RAB9AMEN1KMT2AALDH1A1NPC1
SCHEMBL22894334 0.75 MEN1 (0.67) RAB9AMEN1KMT2AALDH1A1NPC1
SCHEMBL3793113 0.75 TSHR (0.50) ALDH1A1CYP3A4MAOARECQLMAPT
SCHEMBL20132338 0.75 MEN1 (0.67) RAB9AMEN1KMT2AALDH1A1NPC1
SCHEMBL19681872 0.75 MAOA (0.40) RAB9AMEN1KMT2AALDH1A1NPC1
SCHEMBL9701875 0.75 CYP3A4 (0.54) RAB9AMEN1KMT2AALDH1A1NPC1
SCHEMBL20132015 0.73 RAB9A (0.50) RAB9AMEN1KMT2AALDH1A1NPC1

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
EP-3901162-A1 GLUCOCORTICOID RECEPTOR AGONIST AND IMMUNOCONJUGATES THEREOF AbbVie Inc. (US) 2021-10-27 EP disclosed
US-20200338208-A1 GLUCOCORTICOID RECEPTOR AGONIST AND IMMUNOCONJUGATES THEREOF ABBVIE INC. (US) 2020-10-29 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-20200338208-A1 GLUCOCORTICOID RECEPTOR AGONIST AND IMMUNOCONJUGATES THEREOF NR3C1, NR3C2, MC2R RAB9A 2371/4885MEN1 3523/4885KMT2A 4137/4885

“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.