SCHEMBL3505431

SCHEMBL3505431

O=C(O)[C@H](Cc1ccccc1Br)NN1C(=O)c2ccccc2C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ KMT2A Q03164 4/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ PPARG P37231 1/20 0.40
▸ PPARA Q07869 1/20 0.40
▸ POLB P06746 2/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CTSS P25774 1/20 0.39
▸ CTSK P43235 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ DNMT1 P26358 3/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ DNMT3B Q9UBC3 1/20 0.38
▸ PKM P14618 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
SCHEMBL7265100 0.81 ALDH1A1 (0.56) ALDH1A1GAAKMT2AMEN1L3MBTL1
SCHEMBL7272751 0.81 ALDH1A1 (0.56) ALDH1A1GAAKMT2AMEN1L3MBTL1
SCHEMBL11360473 0.77 ALDH1A1 (0.47) ALDH1A1GAAKMT2AMEN1L3MBTL1
SCHEMBL7297775 0.76 DNMT1 (0.65) KMT2AMEN1L3MBTL1POLBKDM4E
SCHEMBL7307301 0.75 CYP2C19 (0.51) ALDH1A1GAAKMT2AMEN1L3MBTL1
SCHEMBL29132823 0.74 KDM4E (0.57) ALDH1A1GAAKMT2AMEN1L3MBTL1
SCHEMBL30660068 0.74 KDM4E (0.57) ALDH1A1GAAKMT2AMEN1L3MBTL1
SCHEMBL29132822 0.74 KDM4E (0.57) ALDH1A1GAAKMT2AMEN1L3MBTL1
SCHEMBL2427953 0.74 GAA (0.52) ALDH1A1GAAKMT2AMEN1L3MBTL1
Hydrochloric Acid SCHEMBL28479104 0.74 CTSS (0.46) ALDH1A1KMT2AMEN1PPARGPPARA

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-20100222546-A1 METHODS FOR THE PREPARATION OF FUNCTIONALIZED PEPTIDES, PROTEINS AND CARBOHYDRATES AND THEIR CONJUGATES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-09-02 — — 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-20100222546-A1 METHODS FOR THE PREPARATION OF FUNCTIONALIZED PEPTIDES, PROTEINS AND CARBOHYDRATES AND THEIR CONJUGATES PTMS, STT3A, GCG ALDH1A1 3690/4885GAA 1347/4885KMT2A 3803/4885

“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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