SCHEMBL13043464

SCHEMBL13043464

CCN(CC)c1ccc2c(-c3ccccc3C(=O)CCSC)c3ccc(=[N+](CC)CC)cc-3oc2c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.56
▸ BLM P54132 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ USP2 O75604 1/20 0.56
▸ POLB P06746 1/20 0.56
▸ PPARG P37231 1/20 0.56
▸ RXFP1 Q9HBX9 1/20 0.56
▸ NCOR2 Q9Y618 1/20 0.56
▸ FPR2 P25090 4/20 0.52
▸ TGM2 P21980 1/20 0.50
▸ CHRM1 P11229 1/20 0.48
▸ TLR7 Q9NYK1 1/20 0.43
▸ AVPR2 P30518 4/20 0.42
▸ NPY4R P50391 3/20 0.41
▸ THRB P10828 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ P2RY6 Q15077 1/20 0.40

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
SCHEMBL17663659 0.90 MEN1 (0.60) MEN1BLMKMT2AUSP2POLB
SCHEMBL13043702 0.90 USP2 (0.55) MEN1BLMKMT2AUSP2POLB
SCHEMBL12673518 0.88 MEN1 (0.59) MEN1BLMKMT2AUSP2POLB
SCHEMBL3903552 0.88 MEN1 (0.61) MEN1BLMKMT2AUSP2POLB
SCHEMBL29593395 0.88 MEN1 (0.61) MEN1BLMKMT2AUSP2POLB
Rhodamine B SCHEMBL10000882 0.88 MEN1 (0.61) MEN1BLMKMT2AUSP2POLB
SCHEMBL20078093 0.87 MEN1 (0.63) MEN1BLMKMT2AUSP2POLB
Hydrochloric Acid SCHEMBL18617 0.87 MEN1 (0.60) MEN1BLMKMT2AUSP2POLB
SCHEMBL12724913 0.87 MEN1 (0.60) MEN1BLMKMT2AUSP2POLB
Hydrochloric Acid SCHEMBL29354092 0.87 MEN1 (0.60) MEN1BLMKMT2AUSP2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10660969-B2 Eight-arm polyethylene glycol derivative, production method therefor, and modified bio-related substance thereof XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2020-05-26 — — US disclosed
US-7828858-B2 Mixture of sulfide dyes CIBA CORPORATION (US) 2010-11-09 — — US disclosed
US-20090100610-A1 Mixture of Sulfide Dyes CIBA CORPORATION 2009-04-23 — — 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-10660969-B2 Eight-arm polyethylene glycol derivative, production method therefor, and modified bio-related substance thereof MRPL38, ALG8, COG8 MEN1 1107/4885BLM 3948/4885KMT2A 4046/4885
US-20090100610-A1 Mixture of Sulfide Dyes KRT18, TST, ARSA MEN1 4052/4885BLM 3558/4885KMT2A 2892/4885

“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.

Send feedback