SCHEMBL22612391

SCHEMBL22612391

O=C(COc1ccc(C(F)(F)F)nc1)NC1CCC(N2CCN(c3ccc(C(F)F)cn3)C2=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ATF4 P18848 3/20 0.39
▸ LMNA P02545 1/20 0.38
▸ MCHR1 Q99705 3/20 0.38
▸ LIPE Q05469 1/20 0.38
▸ SCN9A Q15858 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ ADIPOR2 Q86V24 1/20 0.35
▸ ADIPOR1 Q96A54 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ EPHX2 P34913 1/20 0.34
▸ ACACB O00763 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ POLB P06746 1/20 0.34

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
SCHEMBL22612392 1.00 KMT2A (0.40) KMT2AMEN1ATF4LMNAMCHR1
SCHEMBL22612387 0.89 LIPE (0.49) KMT2AMEN1ATF4LMNAMCHR1
SCHEMBL22612385 0.89 LIPE (0.49) KMT2AMEN1ATF4LMNAMCHR1
SCHEMBL22612432 0.86 ATF4 (0.46) KMT2AMEN1ATF4LMNAMCHR1
SCHEMBL22612430 0.86 ATF4 (0.46) KMT2AMEN1ATF4LMNAMCHR1
SCHEMBL22612446 0.84 ATF4 (0.56) ATF4LMNA
SCHEMBL22612443 0.84 ATF4 (0.56) ATF4LMNA
SCHEMBL22612447 0.82 SMYD3 (0.39) KMT2AMEN1ATF4LMNAMCHR1
SCHEMBL22612365 0.80 GRM5 (0.36) SCN9AACACB
SCHEMBL22612362 0.80 GRM5 (0.36) SCN9AACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112218851-A Modulators of integrated stress pathways 卡里科生命科学有限责任公司 2021-01-12 — — CN disclosed
US-20200347033-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC 2020-11-05 — — US disclosed
US-20200347033-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC 2020-11-05 — — 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-20200347033-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, IRF3 KMT2A 4436/4885MEN1 4743/4885ATF4 1/4885

“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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