SCHEMBL24997967

SCHEMBL24997967

O=C(CO[C@H]1C[C@@H](OC(F)(F)F)C1)NN1CCC(C(=O)Nc2nc3cc(Cl)ccc3[nH]2)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ LPAR2 Q9HBW0 2/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ ATF4 P18848 3/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ HRH4 Q9H3N8 2/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ RHOC P08134 1/20 0.34
▸ RHOA P61586 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
SCHEMBL24997971 0.87 SMN1; SMN2 (0.42) SMN1; SMN2LPAR2NPC1RAB9APOLB
SCHEMBL24997979 0.84 CASP3 (0.46) POLBATF4CNR2LMNAMAPT
SCHEMBL30053203 0.84 CASP3 (0.46) POLBATF4CNR2LMNAMAPT
SCHEMBL24997261 0.84 ATF4 (0.43) NPC1RAB9APOLBATF4LMNA
SCHEMBL30053354 0.84 ATF4 (0.43) NPC1RAB9APOLBATF4LMNA
SCHEMBL24997943 0.83 NPY5R (0.49) ATF4
SCHEMBL24997274 0.83 ATF4 (0.43) POLBATF4LMNATP53MAPT
SCHEMBL24998306 0.80 SMN1; SMN2 (0.48) SMN1; SMN2LPAR2NPC1RAB9APOLB
SCHEMBL24997278 0.79 ATF4 (0.57) ATF4
SCHEMBL24997309 0.77 ATF4 (0.42) ATF4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230042881-A1 MODULATORS OF INTEGRATED STRESS RESPONSE PATHWAY Praxis Biotech LLC 2023-02-09 — — 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-20230042881-A1 MODULATORS OF INTEGRATED STRESS RESPONSE PATHWAY ATF4, ATF1, DDIT3 SMN1; SMN2 3105/4885LPAR2 1992/4885NPC1 3101/4885

“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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