SCHEMBL4393222

SCHEMBL4393222

CN(C)C(=O)C(=O)c1c[nH]c2c(F)ccc(F)c12

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ KMT2A Q03164 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ ALK Q9UM73 1/20 0.33
▸ MAPK14 Q16539 4/20 0.32
▸ ERN1 O75460 1/20 0.32
▸ TNF P01375 1/20 0.32
▸ MPO P05164 3/20 0.32
▸ POLB P06746 1/20 0.32
▸ PCSK9 Q8NBP7 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ ADRA2A P08913 1/20 0.31
▸ CLCN2 P51788 1/20 0.31
▸ CES2 O00748 1/20 0.31
▸ CES1 P23141 1/20 0.31
▸ BRPF1 P55201 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL25748940 0.79 CES2 (0.36) SMN1; SMN2MAPK14TNFALDH1A1LMNA
SCHEMBL25678359 0.79 HTR2A (0.47) POLBALDH1A1
SCHEMBL25748801 0.79 TNF (0.37) HTR1ATNFMPOPCSK9ALDH1A1
SCHEMBL18614837 0.78 ALDH1A1 (0.41) HTR1ATNFMPOALDH1A1CES2
SCHEMBL27189569 0.76 HTR1A (0.32) HTR1ASMN1; SMN2MAPK14ALDH1A1LMNA
SCHEMBL27189565 0.75 ALDH1A1 (0.30) SMN1; SMN2MAPK14ALDH1A1LMNA
SCHEMBL16597349 0.74 NR4A2 (0.49) ALDH1A1LMNAL3MBTL1
SCHEMBL4391284 0.73 LTB4R (0.37) SMN1; SMN2KMT2APOLBALDH1A1LMNA
SCHEMBL31077708 0.73 ALDH1A1 (0.49) KMT2AMAPK14POLBPCSK9ALDH1A1
SCHEMBL27189526 0.73 BRPF1 (0.38) HTR1ASMN1; SMN2ALDH1A1LMNABRPF1

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
WO-2023115166-A1 COMPOUNDS Psylo Pty Ltd (AU) 2023-06-29 — — WO disclosed
US-20090318527-A1 INDOLE COMPOUNDS AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-12-24 — — US disclosed
US-20090318527-A1 INDOLE COMPOUNDS AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-12-24 — — 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-20090318527-A1 INDOLE COMPOUNDS AND METHODS OF USE THEREOF IDO1, IDO2, INMT HTR1A 26/4885SMN1; SMN2 2310/4885KMT2A 2634/4885

“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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