SCHEMBL6536927

SCHEMBL6536927

CC(C)(C)N1SC(Br)C(c2ccccc2)(c2ccccc2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ GRIN2D O15399 1/20 0.33
▸ GRIN3B O60391 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ GRIN1 Q05586 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ GRIN2A Q12879 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ GRIN2C Q14957 1/20 0.33
▸ GRIN3A Q8TCU5 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ GPR55 Q9Y2T6 1/20 0.32
▸ ATM Q13315 1/20 0.31
▸ REN P00797 1/20 0.31
▸ APP P05067 1/20 0.31

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
SCHEMBL6536948 0.83 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2ESR1ESR2GRIN2D
SCHEMBL6537130 0.66 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2GRIN2DGRIN3BCHRM2
SCHEMBL29531709 0.59 CRHBP (0.41) ALDH1A1SMN1; SMN2ESR1ESR2KCNH2
SCHEMBL11229648 0.58 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2ESR1ESR2GRIN1
SCHEMBL14498998 0.58 POLB (0.50) ALDH1A1KCNH2POLBTSHRCYP2C19
SCHEMBL19718061 0.58 GRIN1 (0.40) ALDH1A1SMN1; SMN2ESR1ESR2GRIN1
SCHEMBL11494560 0.57 MMP2 (0.38) ALDH1A1SMN1; SMN2BACE1LMNAGAA
SCHEMBL13045977 0.57 ALDH1A1 (0.60) ALDH1A1POLBLMNATSHRCYP2C19
SCHEMBL11930003 0.56 CYP19A1 (0.44) ALDH1A1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL22215578 0.56 ELANE (0.38) ALDH1A1POLBGPR55LMNAL3MBTL1

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-6696234-B2 Silver halide photosensitive material and isothiazolidine-3-one derivative FUJI PHOTO FILM CO., LTD. (JP) 2004-02-24 — — US disclosed
US-20030190566-A1 Silver halide photosensitive material and isothiazolidine-3-one derivative FUJI PHOTO FILM CO., LTD. 2003-10-09 — — 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-20030190566-A1 Silver halide photosensitive material and isothiazolidine-3-one derivative NRP1, NR2E3, SCN1B ALDH1A1 172/4885SMN1; SMN2 3343/4885ESR1 1817/4885

“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.

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