SCHEMBL21116592

SCHEMBL21116592

CC1(C(=O)NCCOc2ccc(Cl)cc2)C=C(NC(=O)COc2ccc(Cl)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.47
▸ ATM Q13315 1/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ ATF4 P18848 4/20 0.46
▸ HTT P42858 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ SENP2 Q9HC62 1/20 0.44
▸ SENP1 Q9P0U3 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43

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
SCHEMBL21116380 0.96 NPC1 (0.53) KMT2AATMNPC1L3MBTL1MEN1
SCHEMBL21116984 0.95 DRD2 (0.44) KMT2AATMNPC1L3MBTL1MEN1
SCHEMBL24116652 0.91 ALDH1A1 (0.50) NPC1ALDH1A1TSHRSENP2LMNA
SCHEMBL21116634 0.91 PPARD (0.55) KMT2ANPC1MEN1ALDH1A1RAB9A
SCHEMBL21116381 0.90 TP53 (0.45) KMT2AATMNPC1L3MBTL1MEN1
SCHEMBL20999196 0.79 ATF4 (0.59) KMT2ANPC1L3MBTL1MEN1ALDH1A1
SCHEMBL22669501 0.75 ATF4 (0.57) KMT2ANPC1L3MBTL1MEN1ALDH1A1
SCHEMBL22669222 0.75 ATF4 (0.54) KMT2ANPC1L3MBTL1MEN1ALDH1A1
SCHEMBL24324533 0.75 ATF4 (0.48) KMT2AATMNPC1L3MBTL1MEN1
SCHEMBL22669132 0.74 ATF4 (0.53) KMT2ANPC1L3MBTL1MEN1ALDH1A1

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
US-20210393599-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ABBVIE INC. 2021-12-23 — — US disclosed
US-10836725-B2 Modulators of the integrated stress pathway ABBVIE INC. (US) 2020-11-17 — — US disclosed
US-20190194135-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC 2019-06-27 — — 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-10836725-B2 Modulators of the integrated stress pathway ATF4, ATF1, DDIT3 KMT2A 4320/4885ATM 114/4885NPC1 1252/4885
US-20190194135-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 KMT2A 4320/4885ATM 114/4885NPC1 1252/4885
US-20210393599-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 KMT2A 4320/4885ATM 114/4885NPC1 1252/4885

“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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