SCHEMBL22465871

SCHEMBL22465871

O=Cc1cc(C(=O)Nc2ccc(N3CC4CC4C3)cc2)cc(F)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 1/20 0.41
▸ TOP2A P11388 1/20 0.41
▸ TOP2B Q02880 1/20 0.41
▸ NPC1 O15118 6/20 0.41
▸ RAB9A P51151 6/20 0.41
▸ SMN1; SMN2 Q16637 6/20 0.41
▸ TP53 P04637 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ SNCA P37840 3/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CHRNB4 P30926 2/20 0.41
▸ CHRNA3 P32297 2/20 0.41
▸ CHRNB2 P17787 1/20 0.41
▸ CHRNA4 P43681 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ ERN1 O75460 2/20 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
SCHEMBL22465937 0.93 NPC1 (0.42) TOP1TOP2ATOP2BNPC1RAB9A
SCHEMBL29549366 0.93 NPC1 (0.42) TOP1TOP2ATOP2BNPC1RAB9A
SCHEMBL29381935 0.92 ERN1 (0.41) TOP1TOP2ATOP2BNPC1RAB9A
SCHEMBL22465868 0.92 ERN1 (0.41) TOP1TOP2ATOP2BNPC1RAB9A
SCHEMBL22484871 0.92 ERN1 (0.41) TOP1TOP2ATOP2BNPC1RAB9A
SCHEMBL29377773 0.85 RAB9A (0.57) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL22466035 0.85 RAB9A (0.57) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL29375633 0.84 RAB9A (0.59) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL22466090 0.84 RAB9A (0.59) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL22466258 0.83 RAB9A (0.52) NPC1RAB9ASMN1; SMN2TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220298155-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING NEUROPORE THERAPIES, INC. (US) 2022-09-22 — — US disclosed
US-11299487-B2 Compounds and compositions as modulators of TLR signaling NEUROPORE THERAPIES, INC. (US) 2022-04-12 — — US disclosed
WO-2020198368-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING NEUROPORE THERAPIES, INC. (US) 2020-10-01 — — WO disclosed
US-20200308163-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING NEUROPORE THERAPIES, INC. (US) 2020-10-01 — — US disclosed
US-20200308163-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING NEUROPORE THERAPIES, INC. (US) 2020-10-01 — — 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-20220298155-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING TLR3, TLR6, TLR4 TOP1 3785/4885TOP2A 2967/4885TOP2B 3443/4885
US-20200308163-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING TLR3, TLR6, TLR4 TOP1 3785/4885TOP2A 2967/4885TOP2B 3443/4885
US-11299487-B2 Compounds and compositions as modulators of TLR signaling TLR3, TLR6, TLR4 TOP1 3772/4885TOP2A 2990/4885TOP2B 3418/4885

“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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