SCHEMBL21189324

SCHEMBL21189324

O=C(Nc1ccc(F)c(Cl)c1)c1ccc(F)c2c1SCCC2NCl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.46
KMT2A Q03164 5/20 0.46
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 2/20 0.46
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TSHR P16473 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
NR1I2 O75469 1/20 0.42
AHR P35869 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 1/20 0.42
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

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
SCHEMBL21189203 0.91 MAPT (0.43) KMT2AALDH1A1MEN1NPC1RAB9A
SCHEMBL19973900 0.90 KMT2A (0.46) FADS1KMT2AALDH1A1MEN1NPC1
SCHEMBL19973561 0.90 KMT2A (0.46) FADS1KMT2AALDH1A1MEN1NPC1
SCHEMBL19973557 0.90 KMT2A (0.46) FADS1KMT2AALDH1A1MEN1NPC1
SCHEMBL21189387 0.87 KMT2A (0.44) FADS1KMT2AALDH1A1MEN1NPC1
SCHEMBL21189215 0.87 KMT2A (0.44) FADS1KMT2AALDH1A1MEN1NPC1
SCHEMBL19973708 0.87 KMT2A (0.44) FADS1KMT2AALDH1A1MEN1NPC1
Hydrochloric Acid SCHEMBL19973631 0.86 FADS1 (0.50) FADS1KMT2AALDH1A1MEN1NPC1
SCHEMBL20509571 0.81 NPC1 (0.47) FADS1KMT2AALDH1A1MEN1NPC1
SCHEMBL19973955 0.80 TP53 (0.43) KMT2AALDH1A1MEN1NPC1RAB9A

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 FADS1 2483/4885KMT2A 155/4885ALDH1A1 3241/4885
US-11001564-B2 Substituted chromane-8-carboxamide compounds and analogues thereof, and methods using same CBX8, HAVCR2, HCCS FADS1 2483/4885KMT2A 155/4885ALDH1A1 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.