SCHEMBL22644159

SCHEMBL22644159

O=C(c1nc(CO)cs1)c1c[nH]c2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.63
MAPT P10636 1/20 0.63
KMT2A Q03164 1/20 0.63
AHR P35869 4/20 0.62
NR1I2 O75469 1/20 0.62
GPR84 Q9NQS5 1/20 0.55
PBRM1 Q86U86 1/20 0.46
ALDH1A1 P00352 1/20 0.46
ATM Q13315 1/20 0.46
PIM1 P11309 1/20 0.45
CTNNB1 P35222 2/20 0.44
WNT3A P56704 2/20 0.44
ADAM17 P78536 1/20 0.44
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPK1 P28482 1/20 0.43
NR4A2 P43354 1/20 0.43
CREBBP Q92793 1/20 0.43

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
SCHEMBL29399389 0.89 MEN1 (0.62) MEN1MAPTKMT2AAHRNR1I2
SCHEMBL22559331 0.89 MEN1 (0.62) MEN1MAPTKMT2AAHRNR1I2
SCHEMBL23551201 0.89 KMT2A (0.65) MEN1MAPTKMT2AAHRNR1I2
SCHEMBL21547837 0.88 MEN1 (0.58) MEN1MAPTKMT2AAHRNR1I2
SCHEMBL24706859 0.85 MEN1 (0.58) MEN1MAPTKMT2AAHRNR1I2
SCHEMBL21366393 0.83 MEN1 (0.69) MEN1MAPTKMT2AAHRNR1I2
SCHEMBL21547896 0.82 KMT2A (0.70) MEN1MAPTKMT2AAHRNR1I2
SCHEMBL22462583 0.82 MAPT (0.66) MEN1MAPTKMT2AAHRNR1I2
SCHEMBL22644186 0.82 MEN1 (0.66) MEN1MAPTKMT2AAHRNR1I2
SCHEMBL13791003 0.81 MEN1 (0.76) MEN1MAPTKMT2AAHRNR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230145074-A1 Indole Compounds and Their Use ARIAGEN, INC. (US) 2023-05-11 US disclosed
US-20230054194-A1 Methods of Treating Cancer ARIAGEN, INC. (US) 2023-02-23 US disclosed
US-11459322-B2 Indole compounds and their use ARIAGEN, INC. (US) 2022-10-04 US disclosed
US-20210179604-A1 Indole Compounds and Their Use ARIAGEN, INC. (US) 2021-06-17 US disclosed
US-20200354353-A1 Indole Compounds and Their Use ARIAGEN, INC. (US) 2020-11-12 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 (5 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-20210179604-A1 Indole Compounds and Their Use IDO1, IDO2, INMT MEN1 2883/4885MAPT 2556/4885KMT2A 1124/4885
US-11459322-B2 Indole compounds and their use IDO1, IDO2, INMT MEN1 2883/4885MAPT 2556/4885KMT2A 1124/4885
US-20200354353-A1 Indole Compounds and Their Use IDO1, IDO2, INMT MEN1 2883/4885MAPT 2556/4885KMT2A 1124/4885
US-20230054194-A1 Methods of Treating Cancer TP53, MSH2, PDCD1 MEN1 1911/4885MAPT 3515/4885KMT2A 1118/4885
US-20230145074-A1 Indole Compounds and Their Use IDO1, IDO2, INMT MEN1 2883/4885MAPT 2556/4885KMT2A 1124/4885

“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.