SCHEMBL21054687

SCHEMBL21054687

Nc1ccc(Br)cc1-c1nnn(Cc2ccccc2F)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.60
▸ NPC1 O15118 5/20 0.60
▸ ALDH1A1 P00352 4/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ TDP1 Q9NUW8 3/20 0.51
▸ MAPT P10636 3/20 0.51
▸ ATM Q13315 3/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ NFKB2 Q00653 1/20 0.51
▸ RELA Q04206 1/20 0.51
▸ RECQL P46063 1/20 0.50
▸ KDM4E B2RXH2 2/20 0.46
▸ POLB P06746 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ PLA2G1B P04054 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ ATG4B Q9Y4P1 1/20 0.40
▸ MAPK1 P28482 1/20 0.39

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
SCHEMBL20779824 0.79 NPC1 (0.52) RAB9ANPC1ALDH1A1SMN1; SMN2TDP1
SCHEMBL30411362 0.79 NPC1 (0.52) RAB9ANPC1ALDH1A1SMN1; SMN2TDP1
SCHEMBL20552268 0.77 GPR35 (0.44) SMN1; SMN2LMNAGPR35
SCHEMBL21091053 0.76 RAB9A (0.44) RAB9ANPC1ALDH1A1SMN1; SMN2TDP1
SCHEMBL21091031 0.75 MPO (0.43) RAB9ANPC1ALDH1A1SMN1; SMN2TDP1
SCHEMBL21054300 0.69 GPR35 (0.50) RAB9AALDH1A1MAPTLMNANPSR1
SCHEMBL29074758 0.69 NPC1 (0.55) RAB9ANPC1ALDH1A1SMN1; SMN2TDP1
SCHEMBL29074802 0.68 NPC1 (0.54) RAB9ANPC1ALDH1A1SMN1; SMN2TDP1
SCHEMBL13779325 0.68 RAB9A (1.00) RAB9ANPC1ALDH1A1SMN1; SMN2TDP1
SCHEMBL15543006 0.65 RAB9A (0.49) RAB9ANPC1ALDH1A1SMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11524943-B1 Benzocarbonyl compounds VIVACE THERAPEUTICS, INC. (US) 2022-12-13 — — US disclosed
EP-3720430-A1 BENZOCARBONYL COMPOUNDS Vivace Therapeutics, Inc. (US) 2020-10-14 — — EP disclosed
WO-2019113236-A1 BENZOCARBONYL COMPOUNDS VIVACE THERAPEUTICS, INC. (US) 2019-06-13 — — WO disclosed
WO-2019113236-A1 BENZOCARBONYL COMPOUNDS VIVACE THERAPEUTICS, INC. (US) 2019-06-13 — — WO 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-11524943-B1 Benzocarbonyl compounds YAP1, TEAD2, TEAD3 RAB9A 938/4885NPC1 1549/4885ALDH1A1 2574/4885

“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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