SCHEMBL22628045

SCHEMBL22628045

C=C(CCNC(=O)c1cncc(C)n1)NC(=O)COc1ccc(Cl)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ ATF4 P18848 9/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ POLB P06746 1/20 0.37
▸ EGLN2 Q96KS0 1/20 0.37
▸ EGLN1 Q9GZT9 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL22628358 0.92 RXFP1 (0.44) RXFP1ALDH1A1MEN1KMT2APOLB
SCHEMBL22627982 0.89 ATF4 (0.43) RXFP1ALDH1A1ATF4MEN1KMT2A
SCHEMBL22627670 0.89 ALDH1A1 (0.41) RXFP1ALDH1A1ATF4MEN1KMT2A
SCHEMBL22628180 0.88 NPC1 (0.46) RXFP1ALDH1A1ATF4POLB
SCHEMBL22956605 0.88 ATF4 (0.40) RXFP1ALDH1A1ATF4MEN1KMT2A
SCHEMBL22628192 0.86 ALDH1A1 (0.43) RXFP1ALDH1A1ATF4MEN1KMT2A
SCHEMBL25804558 0.86 ALDH1A1 (0.42) RXFP1ALDH1A1ATF4TDP1
SCHEMBL22627878 0.86 CYP1A2 (0.40) ALDH1A1ATF4POLB
SCHEMBL22956424 0.85 RXFP1 (0.42) RXFP1ALDH1A1ATF4MEN1KMT2A
SCHEMBL22627579 0.85 ATF4 (0.42) RXFP1ALDH1A1ATF4

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
EP-3452456-B1 BICYCLIC MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC (US) 2023-07-05 — — EP disclosed
US-20200345727-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ABBVIE INC. 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-20200345727-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 RXFP1 2368/4885ALDH1A1 3433/4885ATF4 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.

Send feedback