SCHEMBL1846352

SCHEMBL1846352

CC(=O)Oc1ccc(Cl)c(CBr)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.44
KDM4E B2RXH2 4/20 0.44
CYP3A4 P08684 2/20 0.43
ACHE P22303 2/20 0.42
ABCB11 O95342 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPT P10636 3/20 0.41
POLB P06746 2/20 0.41
PKM P14618 2/20 0.41
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.40
TTR P02766 1/20 0.40
TP53 P04637 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
SCHEMBL27839938 0.87 LMNA (0.42) LMNAKDM4ECYP3A4ACHEABCB11
SCHEMBL6303758 0.86 LMNA (0.44) LMNAKDM4ECYP3A4ACHEABCB11
SCHEMBL31261701 0.84 ELANE (0.49) ELANE
SCHEMBL27839934 0.83 LMNA (0.44) LMNAKDM4ECYP3A4ACHEABCB11
SCHEMBL5861768 0.81 LMNA (0.49) LMNAKDM4ECYP3A4ACHEALDH1A1
SCHEMBL7660763 0.81 KDM4E (0.53) LMNAKDM4ECYP3A4ACHEALDH1A1
SCHEMBL2294115 0.81 LMNA (0.46) LMNAKDM4ECYP3A4ACHEMAPT
SCHEMBL16857133 0.80 HTR2A (0.43) LMNAKDM4ECYP3A4ACHEABCB11
SCHEMBL473532 0.80 LMNA (0.52) LMNAKDM4ECYP3A4ACHEABCB11
SCHEMBL14122683 0.79 TDP1 (0.53) KDM4EALDH1A1PKMGAATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108368090-B Compounds as immunomodulators 百时美施贵宝公司 2022-04-12 CN disclosed
US-10745382-B2 Compounds useful as immunomodulators BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-18 US disclosed
EP-3362443-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS Bristol-Myers Squibb Company (US) 2018-08-22 EP disclosed
CN-108368090-A Compounds as Immunomodulators 百时美施贵宝公司 2018-08-03 CN disclosed
US-20170107202-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY 2017-04-20 US disclosed
WO-2017066227-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-04-20 WO disclosed
US-20110159019-A1 2,4-DIAMINOPYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-06-30 US disclosed
US-20110159019-A1 2,4-DIAMINOPYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-06-30 US disclosed
US-20110159019-A1 2,4-DIAMINOPYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-06-30 US disclosed
EP-2325175-A1 2,4-DIAMINOPYRIMIDINE COMPOUND Astellas Pharma Inc. (JP) 2011-05-25 EP disclosed
WO-2009005672-A1 ANTIDIABETIC AZAINDOLES AND DIAZAINDOLES MERCK & CO., INC. (US) 2009-01-08 WO disclosed
WO-2009005672-A1 ANTIDIABETIC AZAINDOLES AND DIAZAINDOLES MERCK & CO., INC. (US) 2009-01-08 WO 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 (3 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-10745382-B2 Compounds useful as immunomodulators CD74, HLA-DRB1, CD47 LMNA 4791/4885KDM4E 4249/4885CYP3A4 3478/4885
US-20110159019-A1 2,4-DIAMINOPYRIMIDINE COMPOUND PRKCZ, DCLK1, AAK1 LMNA 4431/4885KDM4E 1012/4885CYP3A4 2474/4885
US-20170107202-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS CD74, HLA-DRB1, CD47 LMNA 4791/4885KDM4E 4249/4885CYP3A4 3478/4885

“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.