SCHEMBL31087177

SCHEMBL31087177

CCCCc1c(C)nc(SC)[nH]c1=O

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.65
KDM4E B2RXH2 2/20 0.58
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HTT P42858 1/20 0.51
LMNA P02545 2/20 0.49
TSHR P16473 1/20 0.49
MCL1 Q07820 1/20 0.48
MAPT P10636 1/20 0.45

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
SCHEMBL9797058 0.94 ALDH1A1 (0.58) ALDH1A1KDM4ECYP2C9CYP2C19L3MBTL1
SCHEMBL9828879 0.94 ALDH1A1 (0.58) ALDH1A1KDM4ECYP2C9CYP2C19L3MBTL1
SCHEMBL8515731 0.92 KDM4E (0.60) ALDH1A1KDM4ECYP2C9CYP2C19L3MBTL1
SCHEMBL10857521 0.84 KDM4E (0.63) ALDH1A1KDM4ECYP2C9CYP2C19L3MBTL1
SCHEMBL5108684 0.83 KDM4E (0.58) ALDH1A1KDM4ECYP2C9CYP2C19L3MBTL1
SCHEMBL10870720 0.80 HTT (0.44) ALDH1A1KDM4ECYP2C9CYP2C19L3MBTL1
SCHEMBL22587273 0.80 CYP2C9 (0.58) ALDH1A1KDM4ECYP2C9CYP2C19L3MBTL1
SCHEMBL22587316 0.78 KDM4E (0.57) ALDH1A1KDM4ECYP2C9CYP2C19L3MBTL1
SCHEMBL10735952 0.77 ALDH1A1 (0.73) ALDH1A1KDM4ECYP2C9CYP2C19L3MBTL1
SCHEMBL31087180 0.76 KDM4E (0.55) ALDH1A1KDM4EHTTLMNATSHR

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-20240307394-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR D AND RELATED PRODUCTS AND METHODS INCYTE CORPORATION 2024-09-19 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-20240307394-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR D AND RELATED PRODUCTS AND METHODS MRGPRX1, MRGPRX4, MRGPRX2 ALDH1A1 3659/4885KDM4E 4555/4885CYP2C9 2506/4885

“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.