SCHEMBL30077902

SCHEMBL30077902

COc1cc(C=O)c(OCc2cncc(Br)c2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TUBB1 Q9H4B7 1/20 0.36
ERN1 O75460 4/20 0.35
PRKDC P78527 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33
CGAS Q8N884 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32

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
SCHEMBL15066003 1.00 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2MAPTLMNAHPGD
SCHEMBL15066252 0.87 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2MAPTLMNAHPGD
SCHEMBL20579846 0.82 PTGDR2 (0.35) ALDH1A1SMN1; SMN2MAPTLMNAHPGD
SCHEMBL30077940 0.82 MRGPRX4 (0.40) ALDH1A1SMN1; SMN2MAPTLMNAHPGD
SCHEMBL15065572 0.82 PDCD1 (0.42) ALDH1A1SMN1; SMN2MAPTLMNAHPGD
SCHEMBL15065467 0.82 MRGPRX4 (0.40) ALDH1A1SMN1; SMN2MAPTLMNAHPGD
SCHEMBL30078197 0.82 PDCD1 (0.42) ALDH1A1SMN1; SMN2MAPTLMNAHPGD
SCHEMBL30078090 0.81 ATM (0.44) ALDH1A1SMN1; SMN2MAPTLMNAHPGD
SCHEMBL30078134 0.81 NNMT (0.40) ALDH1A1SMN1; SMN2MAPTLMNAHPGD
SCHEMBL15065499 0.81 NNMT (0.40) ALDH1A1SMN1; SMN2MAPTLMNAHPGD

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-20230322704-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2023-10-12 US disclosed
US-11530191-B2 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2022-12-20 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 (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-20230322704-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBG1, HBB ALDH1A1 1089/4885SMN1; SMN2 1176/4885MAPT 4181/4885
US-11530191-B2 Compounds and uses thereof for the modulation of hemoglobin HBG2, HBG1, HBB ALDH1A1 1089/4885SMN1; SMN2 1176/4885MAPT 4181/4885

“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.