SCHEMBL29679262

SCHEMBL29679262

COC(=O)/C(=C/c1ccc2ccncc2c1)NC(=O)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.40
CYP3A4 P08684 3/20 0.39
TRPV1 Q8NER1 2/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ROCK2 O75116 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
MAP4K1 Q92918 1/20 0.37
MIF P14174 1/20 0.37
P2RX7 Q99572 1/20 0.37

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
SCHEMBL29679348 0.96 CYP3A4 (0.43) POLBCYP3A4TRPV1KMT2AMEN1
SCHEMBL29679382 0.82 CYP3A4 (0.45) POLBCYP3A4KDM4EALDH1A1HPGD
SCHEMBL29679187 0.81 KDM4E (0.49) KMT2AKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL13906649 0.80 CA12 (0.47) POLBKMT2AMEN1ALDH1A1LMNA
SCHEMBL27626905 0.80 KDM4E (0.42) CYP3A4KMT2AKDM4EALDH1A1HPGD
SCHEMBL14623158 0.80 MMP1 (0.43) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL3596816 0.78 MIF (0.43) POLBKMT2AMEN1SMN1; SMN2MIF
SCHEMBL13052595 0.78 MIF (0.43) POLBKMT2AMEN1SMN1; SMN2MIF
SCHEMBL3596818 0.78 MIF (0.43) POLBKMT2AMEN1SMN1; SMN2MIF
SCHEMBL3588983 0.78 MEN1 (0.46) POLBKMT2AMEN1ALDH1A1HPGD

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
US-20230072421-A1 TARGETED RADIOPHARMACEUTICALS FOR THE DIAGNOSIS AND TREATMENT OF PROSTATE CANCER BAYER AS (NO) 2023-03-09 US disclosed
EP-4003959-A1 TARGETED RADIOPHARMACEUTICALS FOR THE DIAGNOSIS AND TREATMENT OF PROSTATE CANCER Bayer AS (NO) 2022-06-01 EP 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-20230072421-A1 TARGETED RADIOPHARMACEUTICALS FOR THE DIAGNOSIS AND TREATMENT OF PROSTATE CANCER KLK3, AR, SHBG POLB 1310/4885MRGPRX4 96/4885CYP3A4 2551/4885

“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.