SCHEMBL19429730

SCHEMBL19429730

O=C1Oc2ccccc2N[C@H]1OCl

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
PARP1 P09874 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TP53 P04637 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32

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
SCHEMBL11324701 0.77 ALOX5 (0.43) ALOX5MEN1KMT2AMAPTLMNA
SCHEMBL25291027 0.75 FURIN (0.35) ALOX5MEN1KMT2AMAPTLMNA
SCHEMBL19421430 0.73 CREBBP (0.48) ALOX5MEN1KMT2AMAPTLMNA
SCHEMBL31357848 0.73 CREBBP (0.48) ALOX5MEN1KMT2AMAPTLMNA
SCHEMBL18898339 0.73 ALOX5 (0.43) ALOX5MEN1KMT2AMAPTLMNA
SCHEMBL19421423 0.73 CREBBP (0.48) ALOX5MEN1KMT2AMAPTLMNA
SCHEMBL18612790 0.70 MEN1 (0.41) ALOX5MEN1KMT2AMAPTLMNA
SCHEMBL31357816 0.70 KMT2A (0.65) ALOX5MEN1KMT2AMAPTLMNA
SCHEMBL31357808 0.69 KMT2A (0.50) ALOX5MEN1KMT2AMAPTLMNA
SCHEMBL31357784 0.66 MEN1 (0.47) MEN1KMT2AMAPTLMNATDP1

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-20170281702-A1 METHOD OF ISOLATING ANTI-VIRAL INGREDIENTS FROM BAPHICACANTHUS CUSIA, COMPOSITIONS COMPRISING THEM AND THEIR MEDICAL USE MACAU UNIVERSITY OF SCIENCE AND TECHNOLOGY (MO) 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-20170281702-A1 METHOD OF ISOLATING ANTI-VIRAL INGREDIENTS FROM BAPHICACANTHUS CUSIA, COMPOSITIONS COMPRISING THEM AND THEIR MEDICAL USE LSS, UGT1A7, LARP7 ALOX5 2762/4885MEN1 4613/4885KMT2A 4177/4885

“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.