SCHEMBL21333348

SCHEMBL21333348

CN(CCNC(=O)c1cc(Br)ccc1F)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.55
SIGMAR1 Q99720 5/20 0.54
TMEM97 Q5BJF2 4/20 0.54
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 1/20 0.51
HPGD P15428 2/20 0.48
ALOX12 P18054 1/20 0.48
MAPT P10636 1/20 0.41
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TSHR P16473 1/20 0.40
HSP90AA1 P07900 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 1/20 0.39
ANO1 Q5XXA6 1/20 0.38

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
SCHEMBL30285539 0.83 CYP1A2 (0.49) CYP1A2SIGMAR1TMEM97ALDH1A1KDM4E
SCHEMBL30394571 0.83 CYP1A2 (0.49) CYP1A2SIGMAR1TMEM97ALDH1A1KDM4E
SCHEMBL21351181 0.80 L3MBTL1 (0.56) CYP1A2SIGMAR1TMEM97ALDH1A1KDM4E
SCHEMBL21333220 0.79 HPGD (0.49) CYP1A2SIGMAR1TMEM97ALDH1A1KDM4E
SCHEMBL30285543 0.79 HPGD (0.49) CYP1A2SIGMAR1TMEM97ALDH1A1KDM4E
SCHEMBL7956262 0.79 ALDH1A1 (0.49) CYP1A2SIGMAR1TMEM97ALDH1A1KDM4E
SCHEMBL3034135 0.77 TMEM97 (0.61) SIGMAR1TMEM97ALDH1A1HPGDMAPT
SCHEMBL31055441 0.77 TSHR (0.59) CYP1A2SIGMAR1TMEM97ALDH1A1KDM4E
SCHEMBL2926409 0.77 CYP1A2 (0.67) CYP1A2SIGMAR1TMEM97ALDH1A1KDM4E
SCHEMBL21841322 0.76 EGLN1 (0.48) ALDH1A1HPGDHTTSMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11591326-B2 Inhibitors of protein arginine methyltransferase 5 (PRMT5), pharmaceutical products thereof, and methods thereof PHARMABLOCK SCIENCES (NANJING), INC. (CN) 2023-02-28 US disclosed
EP-3761978-A1 INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASE 5 (PRMT5), PHARMACEUTICAL PRODUCTS THEREOF, AND METHODS THEREOF PHARMABLOCK SCIENCES (NANJING), INC. (CN) 2021-01-13 EP disclosed
US-20200399261-A1 INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASE 5 (PRMT5), PHARMACEUTICAL PRODUCTS THEREOF, AND METHODS THEREOF PHARMABLOCK SCIENCES (NANJING), INC. (CN) 2020-12-24 US disclosed
WO-2019173804-A1 INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASE 5 (PRMT5), PHARMACEUTICAL PRODUCTS THEREOF, AND METHODS THEREOF PHARMABLOCK SCIENCES (NANJING), INC. (CN) 2019-09-12 WO 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 (2 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-11591326-B2 Inhibitors of protein arginine methyltransferase 5 (PRMT5), pharmaceutical products thereof, and methods thereof PRMT5, PRMT1, PRMT3 CYP1A2 3626/4885SIGMAR1 2348/4885TMEM97 4261/4885
US-20200399261-A1 INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASE 5 (PRMT5), PHARMACEUTICAL PRODUCTS THEREOF, AND METHODS THEREOF PRMT5, PRMT1, PRMT3 CYP1A2 3626/4885SIGMAR1 2348/4885TMEM97 4261/4885

“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.