SCHEMBL22983097

SCHEMBL22983097

Nc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccco1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.66
TSHR P16473 1/20 0.65
RAB9A P51151 12/20 0.64
NPC1 O15118 8/20 0.64
SMN1; SMN2 Q16637 7/20 0.64
TP53 P04637 5/20 0.64
KDM4E B2RXH2 2/20 0.64
ESR1 P03372 1/20 0.64
ESR2 Q92731 1/20 0.64
MAPT P10636 3/20 0.62
GAA P10253 2/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
ALDH1A1 P00352 3/20 0.61
CASP3 P42574 1/20 0.61
SENP8 Q96LD8 1/20 0.61
SENP7 Q9BQF6 1/20 0.61
SENP6 Q9GZR1 1/20 0.61
PTPN2 P17706 1/20 0.60
PTPN1 P18031 1/20 0.60

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
SCHEMBL14654842 0.85 LMNA (0.63) PKMTSHRRAB9ANPC1SMN1; SMN2
SCHEMBL23011784 0.84 PKM (0.68) PKMTSHRRAB9ANPC1SMN1; SMN2
SCHEMBL23011777 0.82 PKM (0.79) PKMTSHRRAB9ANPC1SMN1; SMN2
SCHEMBL7716934 0.81 RAB9A (0.81) TSHRRAB9ANPC1SMN1; SMN2TP53
SCHEMBL12838359 0.81 NPC1 (0.70) TSHRRAB9ANPC1SMN1; SMN2TP53
SCHEMBL7715871 0.81 NPSR1 (0.73) PKMTSHRRAB9ANPC1SMN1; SMN2
SCHEMBL7717504 0.81 RAB9A (0.58) PKMRAB9ANPC1SMN1; SMN2TP53
SCHEMBL23011783 0.80 PKM (0.63) PKMTSHRRAB9ANPC1SMN1; SMN2
SCHEMBL7716927 0.80 PTPN2 (0.75) PKMRAB9ANPC1SMN1; SMN2TP53
SCHEMBL23011774 0.79 ALDH1A1 (0.84) TSHRRAB9ANPC1SMN1; SMN2MAPT

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-20220280644-A1 \"TRPswitch\" - A STEP FUNCTION CHEMO-OPTOGENETIC LIGAND NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-09-08 US disclosed
EP-4009972-A1 \"TRPSWITCH\" - A STEP FUNCTION CHEMO-OPTOGENETIC LIGAND University of Utah Research Foundation (US) 2022-06-15 EP disclosed
WO-2021030165-A1 \"TRPSWITCH\" − A STEP FUNCTION CHEMO-OPTOGENETIC LIGAND UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2021-02-18 WO disclosed
WO-2021030165-A1 \"TRPSWITCH\" − A STEP FUNCTION CHEMO-OPTOGENETIC LIGAND UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2021-02-18 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-20220280644-A1 \"TRPswitch\" - A STEP FUNCTION CHEMO-OPTOGENETIC LIGAND TRPA1, TRPC3, TRPV1 PKM 4051/4885TSHR 2264/4885RAB9A 2047/4885

“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.