SCHEMBL19533698

SCHEMBL19533698

CON(C)C(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.59
HPGD P15428 3/20 0.59
ALDH1A1 P00352 2/20 0.59
NPC1 O15118 1/20 0.54
POLB P06746 1/20 0.54
HSP90AA1 P07900 1/20 0.54
RAB9A P51151 1/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
ATM Q13315 1/20 0.54
PARP10 Q53GL7 1/20 0.53
HSD17B1 P14061 2/20 0.52
HSD17B2 P37059 2/20 0.52
SRD5A2 P31213 2/20 0.51
MLYCD O95822 1/20 0.50
KDM4E B2RXH2 1/20 0.49
MCHR1 Q99705 1/20 0.47

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
SCHEMBL28777 0.85 MLYCD (0.54) HPGDALDH1A1NPC1RAB9AMEN1
SCHEMBL11486845 0.84 SMN1; SMN2 (0.85) SMN1; SMN2HPGDALDH1A1NPC1POLB
Hydrochloric Acid SCHEMBL7476159 0.83 MLYCD (0.53) HPGDALDH1A1NPC1RAB9AKMT2A
SCHEMBL9878124 0.82 SMN1; SMN2 (0.63) SMN1; SMN2HPGDALDH1A1NPC1POLB
SCHEMBL3303829 0.82 HPGD (0.56) HPGDALDH1A1NPC1RAB9AMEN1
SCHEMBL4449884 0.82 MAPT (0.56) SMN1; SMN2HPGDALDH1A1NPC1RAB9A
SCHEMBL286256 0.82 CES2 (0.57) SMN1; SMN2HPGDALDH1A1PARP10HSD17B1
SCHEMBL1034311 0.80 MAOB (0.63) MEN1KMT2APARP10SRD5A2
SCHEMBL22531823 0.80 MLYCD (0.57) SMN1; SMN2HPGDALDH1A1NPC1POLB
SCHEMBL8569451 0.77 KDM4E (0.49) ALDH1A1POLBRAB9AMEN1KMT2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114751882-B Synthesis method of benzofuran 南京工业大学 2024-02-23 CN disclosed
EP-3246317-B1 BTK INHIBITOR HUBEI BIO PHARMACEUTICAL INDUSTRIAL TECH INSTITUTE INC (CN) 2023-02-22 EP disclosed
CN-114751882-A Synthetic method of benzofuran 南京工业大学 2022-07-15 CN disclosed
CN-111630044-A Oximino-tetrazole derivatives and application thereof in agriculture 东莞市东阳光农药研发有限公司 2020-09-04 CN disclosed
WO-2020133123-A1 OXIME-TETRAZOLE DERIVATIVE AND APPLICATION THEREOF IN AGRICULTURE 东莞市东阳光农药研发有限公司 2020-07-02 WO disclosed
US-10662174-B2 BTK inhibitor HUBEI BIO-PHARMACEUTICAL INDUSTRIAL TECHNOLOGICAL INSTITUTE, INC. (CN) 2020-05-26 US disclosed
EP-3246317-A1 BTK INHIBITOR Hubei Bio-Pharmaceutical Industrial Technological Institute Inc. (CN) 2017-11-22 EP disclosed
US-20170313683-A1 BTK INHIBITOR HUBEI BIO-PHARMACEUTICAL INDUSTRIAL TECHNOLOGICAL INSTITUTE, INC. (CN) 2017-11-02 US disclosed
US-20170313683-A1 BTK INHIBITOR HUBEI BIO-PHARMACEUTICAL INDUSTRIAL TECHNOLOGICAL INSTITUTE, INC. (CN) 2017-11-02 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-10662174-B2 BTK inhibitor BTK, SYK, LYN SMN1; SMN2 4321/4885HPGD 4511/4885ALDH1A1 4122/4885
US-20170313683-A1 BTK INHIBITOR BTK, SYK, LYN SMN1; SMN2 4321/4885HPGD 4511/4885ALDH1A1 4122/4885

“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.