SCHEMBL19420173

SCHEMBL19420173

O=C(CSc1nc[nH]n1)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ NPSR1 Q6W5P4 2/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ GAA P10253 1/20 0.58
▸ XBP1 P17861 1/20 0.58
▸ LMNA P02545 4/20 0.58
▸ ALDH1A1 P00352 2/20 0.58
▸ KDM4E B2RXH2 2/20 0.58
▸ HTT P42858 1/20 0.58
▸ TP53 P04637 3/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ TSHR P16473 1/20 0.56
▸ POLB P06746 1/20 0.55
▸ HPGD P15428 1/20 0.52
▸ PPARG P37231 1/20 0.52
▸ NCOA2 Q15596 1/20 0.52

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
SCHEMBL7938406 0.81 TSHR (0.67) MAPTKMT2ANPSR1MEN1LMNA
SCHEMBL19420132 0.81 APOBEC3G (0.61) MAPTKMT2AMEN1LMNAALDH1A1
SCHEMBL19420176 0.80 MAPT (0.70) MAPTKMT2ANPSR1MEN1GAA
SCHEMBL19425667 0.77 LMNA (0.61) MAPTKMT2ANPSR1MEN1GAA
SCHEMBL8788041 0.75 ALDH1A1 (0.67) MAPTKMT2ANPSR1MEN1GAA
SCHEMBL31236338 0.74 MAPT (0.77) MAPTKMT2ANPSR1MEN1GAA
SCHEMBL5142590 0.74 MAPT (0.77) MAPTKMT2ANPSR1MEN1GAA
SCHEMBL20067942 0.74 SIRT2 (0.65) MAPTKMT2ALMNAALDH1A1KDM4E
SCHEMBL5805724 0.73 MAPT (0.70) MAPTKMT2ANPSR1MEN1GAA
SCHEMBL25226689 0.73 KDM4E (0.60) MAPTKMT2ANPSR1MEN1GAA

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-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES UNITY BIOTECHNOLOGY, INC. 2017-10-05 — — US disclosed
US-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES UNITY BIOTECHNOLOGY, INC. 2017-10-05 — — 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-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES TP53, NQO1, SHMT2 MAPT 1762/4885KMT2A 3471/4885NPSR1 3931/4885

“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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