SCHEMBL19897937

SCHEMBL19897937

Cc1c(OCCCBr)cccc1-c1cccc(OCCCBr)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1B P28222 1/20 0.43
▸ MAPT P10636 5/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPK1 P28482 4/20 0.40
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ CD274 Q9NZQ7 5/20 0.38
▸ LMNA P02545 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ HPGD P15428 4/20 0.36
▸ TSHR P16473 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ ALOX15 P16050 2/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL30394068 1.00 HTR1B (0.43) HTR1BMAPTKDM4EGAAMAPK1
SCHEMBL22807537 0.92 MAPT (0.39) HTR1BMAPTKDM4EGAAMAPK1
SCHEMBL28469003 0.92 HTR1B (0.45) HTR1BMAPTKDM4EGAAMAPK1
SCHEMBL30394884 0.92 HTR1B (0.45) HTR1BMAPTKDM4EGAAMAPK1
SCHEMBL30335600 0.87 CD274 (0.49) HTR1BMAPTKDM4EGAACD274
SCHEMBL21359629 0.87 CD274 (0.49) HTR1BMAPTKDM4EGAACD274
SCHEMBL10805109 0.84 MAPT (0.47) HTR1BMAPTKDM4EGAAMAPK1
SCHEMBL19916130 0.84 CYP2D6 (0.59) KDM4EL3MBTL1TDP1SMN1; SMN2CD274
SCHEMBL29648252 0.83 HTR7 (0.43) HTR1BMAPTKDM4EGAAMAPK1
SCHEMBL18728167 0.83 HTR7 (0.43) HTR1BMAPTKDM4EGAAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3507284-B1 BIARYL COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-05-25 — — EP disclosed
EP-3507284-B1 BIARYL COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-05-25 — — EP disclosed
EP-3507284-A1 BIARYL COMPOUNDS USEFUL AS IMMUNOMODULATORS Bristol-Myers Squibb Company (US) 2019-07-10 — — EP disclosed
US-10144706-B2 Compounds useful as immunomodulators BRISTOL-MYERS SQUIBB COMPANY (US) 2018-12-04 — — US disclosed
WO-2018044963-A1 BIARYL COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-08 — — WO disclosed
WO-2018044963-A1 BIARYL COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-08 — — WO disclosed
US-20180057455-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY 2018-03-01 — — US disclosed
US-20180057455-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY 2018-03-01 — — US disclosed
US-20180057455-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY 2018-03-01 — — 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-10144706-B2 Compounds useful as immunomodulators CD74, HLA-DRB1, CD47 HTR1B 4346/4885MAPT 4038/4885KDM4E 4249/4885
US-20180057455-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS CD74, HLA-DRB1, CD47 HTR1B 4346/4885MAPT 4038/4885KDM4E 4249/4885

“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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