SCHEMBL24820185

SCHEMBL24820185

CN(C(=S)NCCCNC(=N)N)c1cc(=O)oc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ BRD4 O60885 5/20 0.39
▸ NQO1 P15559 1/20 0.37
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ RAB9A P51151 1/20 0.35
▸ OPRM1 P35372 2/20 0.34
▸ TMEM97 Q5BJF2 2/20 0.34
▸ SIGMAR1 Q99720 2/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ ACKR3 P25106 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL24486803 0.89 RECQL (0.40) RECQLALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL24820173 0.88 BRD4 (0.42) RECQLALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL24818349 0.84 RECQL (0.42) RECQLALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL24486930 0.81 RECQL (0.43) RECQLALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL24487155 0.81 RECQL (0.43) RECQLALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL24820252 0.78 RECQL (0.40) RECQLALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL24486749 0.78 RECQL (0.41) RECQLALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL24487223 0.78 RECQL (0.41) RECQLALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL21171972 0.74 ALDH1A1 (0.43) RECQLALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL21171750 0.73 ACHE (0.48) RECQLALDH1A1CYP1A2CYP3A4CYP2C19

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-20220412963-A1 FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES THROUGH REDUCTIVE AMINATION FOR ENHANCED MS SIGNALS WATERS TECHNOLOGIES CORPORATION 2022-12-29 — — 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-20220412963-A1 FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES THROUGH REDUCTIVE AMINATION FOR ENHANCED MS SIGNALS FUT5, FUT6, OGT RECQL 4851/4885ALDH1A1 264/4885CYP1A2 2545/4885

“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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