SCHEMBL31673834

SCHEMBL31673834

CCOC(=O)c1c(NC(C)=O)sc2c(Cl)c(/C=N/O)ccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.58
▸ KMT2A Q03164 7/20 0.58
▸ MAPT P10636 6/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ LMNA P02545 1/20 0.57
▸ ALOX12 P18054 1/20 0.57
▸ KDM4E B2RXH2 4/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ ALDH1A1 P00352 8/20 0.50
▸ TSHR P16473 3/20 0.50
▸ RECQL P46063 1/20 0.50
▸ PRKCZ Q05513 1/20 0.47
▸ HTT P42858 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ NTSR1 P30989 1/20 0.47
▸ RAB9A P51151 1/20 0.46
▸ MITF O75030 1/20 0.46
▸ MCL1 Q07820 1/20 0.45

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
SCHEMBL31673842 1.00 MEN1 (0.58) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL31673829 0.88 MEN1 (0.61) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL31459976 0.78 MAPT (0.75) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL16312402 0.76 MAPT (0.57) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL16312400 0.76 MAPT (0.54) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL15172955 0.73 KMT2A (1.00) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL31459864 0.73 KMT2A (1.00) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL16521105 0.73 MAPT (0.78) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL2921771 0.73 MAPT (1.00) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL31459968 0.73 MAPT (1.00) MEN1KMT2AMAPTSMN1; SMN2LMNA

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-20250255847-A1 SIMMPYRAs: Novel Drugs for Triple Negative Breast Cancer SIMMARON RSEARCH INC 2025-08-14 — — 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-20250255847-A1 SIMMPYRAs: Novel Drugs for Triple Negative Breast Cancer STAT3, STAT6, STAT1 MEN1 4368/4885KMT2A 260/4885MAPT 2653/4885

“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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