SCHEMBL22170205

SCHEMBL22170205

COc1ccc(NC(=O)NCCC(C)C)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.71
RAB9A P51151 5/20 0.62
SMN1; SMN2 Q16637 5/20 0.62
NPC1 O15118 4/20 0.62
FPR2 P25090 4/20 0.59
CNR1 P21554 1/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
EPHX2 P34913 1/20 0.57
SAE1 Q9UBE0 1/20 0.56
UBA2 Q9UBT2 1/20 0.56
PKM P14618 1/20 0.56
ANPEP P15144 1/20 0.56
GAA P10253 2/20 0.54
KDM4E B2RXH2 2/20 0.53
MAPT P10636 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
HPGD P15428 1/20 0.53

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
SCHEMBL2434172 0.83 CASR (1.00) CASRRAB9ASMN1; SMN2NPC1FPR2
SCHEMBL22170204 0.83 CASR (0.75) CASRRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL20708118 0.83 SMN1; SMN2 (0.68) CASRRAB9ASMN1; SMN2NPC1FPR2
SCHEMBL8577837 0.83 SMN1; SMN2 (0.68) CASRRAB9ASMN1; SMN2NPC1FPR2
SCHEMBL1912325 0.81 CNR1 (0.67) CASRRAB9ASMN1; SMN2NPC1FPR2
SCHEMBL3146895 0.81 FPR2 (0.66) CASRRAB9ASMN1; SMN2NPC1FPR2
SCHEMBL10223997 0.81 SMN1; SMN2 (0.73) CASRRAB9ASMN1; SMN2NPC1EPHX2
SCHEMBL10598972 0.80 SMN1; SMN2 (0.64) CASRRAB9ASMN1; SMN2NPC1FPR2
SCHEMBL16562079 0.80 FPR2 (0.86) RAB9ASMN1; SMN2NPC1FPR2CNR1
SCHEMBL1499493 0.80 NPC1 (0.62) RAB9ASMN1; SMN2NPC1MEN1KMT2A

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-11840543-B2 Compounds and uses THE UNIVERSITY OF QUEENSLAND (AU) 2023-12-12 US disclosed
US-20200207780-A1 NOVEL COMPOUNDS AND USES THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, AND THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH NEAR DUBLIN (IE) 2020-07-02 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-11840543-B2 Compounds and uses NLRP3, NOD1, IAPP CASR 301/4885RAB9A 2420/4885SMN1; SMN2 4240/4885
US-20200207780-A1 NOVEL COMPOUNDS AND USES NLRP3, NOD1, GPR119 CASR 265/4885RAB9A 2119/4885SMN1; SMN2 4277/4885

“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.