SCHEMBL19654998

SCHEMBL19654998

CC[N+](CC)=c1ccc2c(-c3ccccc3C(=O)O)c3cc(N(Cc4ccccc4)Cc4ccccc4)ccc3oc-2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FTO Q9C0B1 2/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ BLM P54132 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ USP2 O75604 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ PPARG P37231 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ NCOR2 Q9Y618 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ THRB P10828 2/20 0.44
▸ RECQL P46063 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ BRCA1 P38398 1/20 0.44
▸ HTT P42858 1/20 0.44

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
SCHEMBL19495096 0.92 MEN1 (0.52) FTOMEN1BLMKMT2AUSP2
SCHEMBL19654997 0.85 FPR2 (0.39) FTOMEN1BLMKMT2AUSP2
SCHEMBL18854256 0.85 FTO (0.51) FTOMEN1BLMKMT2AUSP2
SCHEMBL29593395 0.84 MEN1 (0.61) FTOMEN1BLMKMT2AUSP2
SCHEMBL3903552 0.84 MEN1 (0.61) FTOMEN1BLMKMT2AUSP2
Hydrochloric Acid SCHEMBL29354092 0.84 MEN1 (0.60) FTOMEN1BLMKMT2AUSP2
Hydrochloric Acid SCHEMBL18617 0.84 MEN1 (0.60) FTOMEN1BLMKMT2AUSP2
SCHEMBL25516659 0.84 MEN1 (0.54) FTOMEN1BLMKMT2AUSP2
Hydrochloric Acid SCHEMBL30207638 0.84 MEN1 (0.60) FTOMEN1BLMKMT2AUSP2
SCHEMBL19655002 0.83 FTO (0.46) FTOMEN1BLMKMT2AUSP2

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-20170342031-A1 QUENCHER WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2017-11-30 — — US disclosed
US-20170342031-A1 QUENCHER WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2017-11-30 — — 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-20170342031-A1 QUENCHER AHR, GFER, AKR1A1 FTO 330/4885MEN1 2721/4885BLM 958/4885

“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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