SCHEMBL23084689

SCHEMBL23084689

CC(Cl)OC(=O)N(C)c1ncccc1COP(OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.35
▸ GMNN O75496 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ DRD2 P14416 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ DRD4 P21917 2/20 0.34
▸ DRD3 P35462 2/20 0.34
▸ PMP22 Q01453 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ KCNA5 P22460 2/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ MMP8 P22894 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SENP8 Q96LD8 1/20 0.33
▸ SENP7 Q9BQF6 1/20 0.33

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
SCHEMBL23084690 0.85 ALDH1A1 (0.36) POLBGMNNALDH1A1LMNADRD2
SCHEMBL29868093 0.85 ALDH1A1 (0.36) POLBGMNNALDH1A1LMNADRD2
SCHEMBL21155600 0.81 KMT2A (0.36) GMNNALDH1A1LMNADRD2HPGD
SCHEMBL26024103 0.78 HTT (0.35) ALDH1A1LMNASMN1; SMN2TDP1L3MBTL1
SCHEMBL20712022 0.73 CASP3 (0.32) ALDH1A1SMN1; SMN2L3MBTL1TSHRCASP3
SCHEMBL29867943 0.73 CASP3 (0.32) ALDH1A1SMN1; SMN2L3MBTL1TSHRCASP3
SCHEMBL23084799 0.72 POLB (0.38) POLBALDH1A1HPGDL3MBTL1KCNA5
SCHEMBL29868237 0.72 POLB (0.38) POLBALDH1A1HPGDL3MBTL1KCNA5
SCHEMBL25432478 0.71 MMP13 (0.34) KCNA5KMT2A
SCHEMBL20711945 0.71 MEN1 (0.35) POLBSMN1; SMN2L3MBTL1KCNA5RAB9A

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-20210070698-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY 2021-03-11 — — 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-20210070698-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE IDO1, IDO2, INMT POLB 1958/4885GMNN 2692/4885ALDH1A1 551/4885

“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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