SCHEMBL21838458

SCHEMBL21838458

Cc1nc(N/N=C(\N=N\c2ccccc2)c2ccccc2)sc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.49
NPC1 O15118 8/20 0.49
PKM P14618 2/20 0.49
MAOA P21397 5/20 0.47
MAOB P27338 5/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 6/20 0.44
GAA P10253 4/20 0.44
MAPT P10636 7/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
LMNA P02545 2/20 0.44
NPSR1 Q6W5P4 2/20 0.42
TDP1 Q9NUW8 4/20 0.41
KDM4E B2RXH2 3/20 0.41
HTT P42858 3/20 0.41
PTBP1 P26599 1/20 0.39
HSP90AA1 P07900 1/20 0.39
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
SCHEMBL745116 1.00 RAB9A (0.49) RAB9ANPC1PKMMAOAMAOB
SCHEMBL21838460 1.00 RAB9A (0.49) RAB9ANPC1PKMMAOAMAOB
SCHEMBL30220799 1.00 RAB9A (0.49) RAB9ANPC1PKMMAOAMAOB
SCHEMBL745117 1.00 RAB9A (0.49) RAB9ANPC1PKMMAOAMAOB
SCHEMBL21097694 0.80 HSP90AA1 (0.55) RAB9ANPC1PKML3MBTL1MEN1
SCHEMBL11327597 0.80 HSP90AA1 (0.55) RAB9ANPC1PKML3MBTL1MEN1
SCHEMBL11332710 0.80 HSP90AA1 (0.55) RAB9ANPC1PKML3MBTL1MEN1
SCHEMBL8924537 0.77 RAB9A (0.50) RAB9ANPC1PKMMAOAMAOB
SCHEMBL2619262 0.77 RAB9A (0.50) RAB9ANPC1PKMMAOAMAOB
SCHEMBL745118 0.77 RAB9A (0.50) RAB9ANPC1PKMMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12285407-B2 Bis-indolylmethane derivatives and uses thereof THE UNIVERSITY OF THE WEST INDIES (TT) 2025-04-29 US disclosed
EP-3518957-B1 THERAPEUTIC PROTEIN INST SUPERIOR AGRONOMIA (PT) 2024-05-15 EP disclosed
WO-2024038937-A1 DOUBLE CROSS-LINKED COPOLYMER, PREPARATION METHOD THEREFOR AND PATCH COMPRISING SAME 주식회사 베스트앤퍼스트바이오텍 2024-02-22 WO disclosed
WO-2024038936-A1 CROSS-LINKED COPOLYMER, PREPARATION METHOD THEREOF, AND PATCH COMPRISING SAME 주식회사 베스트앤퍼스트바이오텍 2024-02-22 WO disclosed
US-20210401803-A1 COMPOUNDS AND USES THEREOF THE UNIVERSITY OF THE WEST INDIES (TT) 2021-12-30 US disclosed
EP-3883564-A1 COMPOUNDS AND USES THEREOF The University of the West Indies (TT) 2021-09-29 EP disclosed
US-20200113969-A1 THERAPEUTIC PROTEIN INSTITUTO SUPERIOR DE AGRONOMIA (PT) 2020-04-16 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 (3 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-20210401803-A1 COMPOUNDS AND USES THEREOF CFTR, FPR1, CFB RAB9A 1283/4885NPC1 116/4885PKM 1310/4885
US-12285407-B2 Bis-indolylmethane derivatives and uses thereof IDO1, FHIT, IDO2 RAB9A 1027/4885NPC1 1645/4885PKM 1168/4885
US-20200113969-A1 THERAPEUTIC PROTEIN SERPINA6, FABP2, FABP1 RAB9A 1593/4885NPC1 2578/4885PKM 3717/4885

“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.