SCHEMBL23920228

SCHEMBL23920228

O=C(NCC1CCNCC1)c1cc2cc(Cl)ccc2o1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 14/20 0.55
▸ CHRM3 P20309 3/20 0.53
▸ CHRM2 P08172 2/20 0.53
▸ CHRM4 P08173 2/20 0.53
▸ CHRM5 P08912 1/20 0.53
▸ HDAC3 O15379 2/20 0.52
▸ HDAC1 Q13547 2/20 0.52
▸ HDAC2 Q92769 2/20 0.52
▸ HDAC4 P56524 1/20 0.52
▸ HDAC7 Q8WUI4 1/20 0.52
▸ HDAC10 Q969S8 1/20 0.52
▸ HDAC11 Q96DB2 1/20 0.52
▸ HDAC8 Q9BY41 1/20 0.52
▸ HDAC6 Q9UBN7 1/20 0.52
▸ HDAC9 Q9UKV0 1/20 0.52
▸ HDAC5 Q9UQL6 1/20 0.52
▸ ADAMTS4 O75173 2/20 0.52
▸ ADAMTS5 Q9UNA0 2/20 0.52
▸ PIM1 P11309 2/20 0.50
▸ PIM2 Q9P1W9 2/20 0.50

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
SCHEMBL30578718 1.00 CHRM1 (0.55) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL8251733 0.93 ADAMTS4 (0.50) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL22373887 0.93 ADAMTS4 (0.50) CHRM1CHRM3CHRM2CHRM4CHRM5
Trifluoroacetic Acid SCHEMBL22777600 0.93 CHRM1 (0.49) CHRM1CHRM3CHRM2CHRM4CHRM5
Trifluoroacetic Acid SCHEMBL29447008 0.93 CHRM1 (0.49) CHRM1CHRM3CHRM2CHRM4CHRM5
Trifluoroacetic Acid SCHEMBL22362359 0.86 ADAMTS4 (0.45) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL22777445 0.85 RAB9A (0.54) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL29447009 0.85 RAB9A (0.54) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL22777444 0.85 RAB9A (0.54) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL21062361 0.83 RAB9A (0.57) HDAC3HDAC1HDAC2HDAC4HDAC7

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
CN-116768877-A ISR inhibitor and preparation method and application thereof 中国药科大学 2023-09-19 — — CN disclosed
US-20210317102-A1 INHIBITORS OF INTEGRATED STRESS RESPONSE PATHWAY ALTOS LABS, INC. 2021-10-14 — — 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 (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-20210317102-A1 INHIBITORS OF INTEGRATED STRESS RESPONSE PATHWAY ATF4, DDIT3, ATF1 CHRM1 4819/4885CHRM3 4571/4885CHRM2 4741/4885

“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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