SCHEMBL26086091

SCHEMBL26086091

CC(N)(C(=O)OCc1ccccc1)c1ccc(Br)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.46
▸ KMT2A Q03164 3/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ PTPN1 P18031 3/20 0.43
▸ PTPRC P08575 1/20 0.43
▸ FABP7 O15540 1/20 0.42
▸ FABP5 Q01469 1/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40

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
SCHEMBL10554690 0.90 ALDH1A1 (0.53) ALDH1A1KMT2ASMN1; SMN2MEN1PTPN1
SCHEMBL27582847 0.86 RXRA (0.49) ALDH1A1KMT2AMEN1HPGDSLC6A2
SCHEMBL3045824 0.85 ALDH1A1 (0.49) ALDH1A1KMT2ASMN1; SMN2MEN1TP53
SCHEMBL27600184 0.84 PARP10 (0.52) ALDH1A1KMT2ASMN1; SMN2HPGDPTPN1
SCHEMBL3379309 0.83 SMN1; SMN2 (0.41) ALDH1A1KMT2ASMN1; SMN2MEN1TP53
SCHEMBL6135476 0.80 NPSR1 (0.50) ALDH1A1KMT2ASMN1; SMN2MEN1HPGD
SCHEMBL6135621 0.80 NPSR1 (0.50) ALDH1A1KMT2ASMN1; SMN2MEN1HPGD
SCHEMBL204187 0.80 NPSR1 (0.50) ALDH1A1KMT2ASMN1; SMN2MEN1HPGD
SCHEMBL7483779 0.80 ALDH1A1 (0.56) ALDH1A1KMT2ASMN1; SMN2MEN1HPGD
SCHEMBL1809268 0.78 ALDH1A1 (0.58) ALDH1A1KMT2ASMN1; SMN2MEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11780845-B2 FGFR inhibitors and methods of use thereof RELAY THERAPEUTICS, INC. (US) 2023-10-10 — — 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-11780845-B2 FGFR inhibitors and methods of use thereof FGFR3, FGFR2, FGFR1 ALDH1A1 1774/4885KMT2A 1423/4885SMN1; SMN2 3600/4885

“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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