SCHEMBL21189215

SCHEMBL21189215

COC(=O)N[C@H]1CCSc2c(C(=O)Nc3ccc(F)c(Cl)c3)ccc(F)c21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 1/20 0.44
FADS1 O60427 1/20 0.43
TSHR P16473 2/20 0.41
MAPT P10636 7/20 0.41
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
HDAC3 O15379 1/20 0.41
EGFR P00533 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41

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
SCHEMBL19973708 1.00 KMT2A (0.44) KMT2AMEN1ALDH1A1FADS1TSHR
SCHEMBL21189387 1.00 KMT2A (0.44) KMT2AMEN1ALDH1A1FADS1TSHR
SCHEMBL21189201 0.91 MEN1 (0.39) KMT2AMEN1TSHRMAPTNPC1
SCHEMBL21189437 0.91 MEN1 (0.39) KMT2AMEN1TSHRMAPTNPC1
SCHEMBL26715156 0.90 FADS1 (0.44) KMT2AMEN1ALDH1A1FADS1TSHR
SCHEMBL19973900 0.89 KMT2A (0.46) KMT2AMEN1ALDH1A1FADS1TSHR
SCHEMBL19973561 0.89 KMT2A (0.46) KMT2AMEN1ALDH1A1FADS1TSHR
SCHEMBL19973557 0.89 KMT2A (0.46) KMT2AMEN1ALDH1A1FADS1TSHR
SCHEMBL21189324 0.87 FADS1 (0.46) KMT2AMEN1ALDH1A1FADS1TSHR
SCHEMBL21189323 0.83 NPC1 (0.48) KMT2AMEN1ALDH1A1FADS1MAPT

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-11001564-B2 Substituted chromane-8-carboxamide compounds and analogues thereof, and methods using same ARBUTUS BIOPHARMA CORPORATION (CA) 2021-05-11 US disclosed
US-20190225593-A1 SUBSTITUTED CHROMANE-8-CARBOXAMIDE COMPOUNDS AND ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2019-07-25 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-20190225593-A1 SUBSTITUTED CHROMANE-8-CARBOXAMIDE COMPOUNDS AND ANALOGUES THEREOF, AND METHODS USING SAME CBX8, HAVCR2, HCCS KMT2A 155/4885MEN1 1933/4885ALDH1A1 3241/4885
US-11001564-B2 Substituted chromane-8-carboxamide compounds and analogues thereof, and methods using same CBX8, HAVCR2, HCCS KMT2A 155/4885MEN1 1933/4885ALDH1A1 3241/4885

“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.