SCHEMBL18152742

SCHEMBL18152742

O=[N+]([O-])c1cc(I)c2oc(-c3ccccc3)cc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 2/20 0.56
▸ CHRM2 P08172 1/20 0.53
▸ CHRM4 P08173 1/20 0.53
▸ CHRM5 P08912 1/20 0.53
▸ CHRM1 P11229 1/20 0.53
▸ CHRM3 P20309 1/20 0.53
▸ NPC1 O15118 5/20 0.49
▸ RAB9A P51151 5/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ MAOB P27338 2/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ TNKS O95271 1/20 0.41
▸ PARP1 P09874 1/20 0.41
▸ CSNK2A2 P19784 1/20 0.41
▸ CSNK2B P67870 1/20 0.41
▸ CSNK2A1 P68400 1/20 0.41
▸ TNKS2 Q9H2K2 1/20 0.41

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
SCHEMBL23073217 0.83 MAOA (0.56) MAOANPC1RAB9AMEN1KMT2A
SCHEMBL10553934 0.81 MAOA (0.53) MAOANPC1RAB9AMEN1KMT2A
SCHEMBL10547223 0.76 MAOA (0.48) MAOANPC1RAB9AMEN1KMT2A
SCHEMBL2242477 0.75 MAOB (0.67) MAOACHRM2CHRM4CHRM5CHRM1
SCHEMBL18152645 0.74 NPC1 (0.54) MAOANPC1RAB9AMEN1KMT2A
SCHEMBL21437469 0.74 MAOA (0.43) MAOANPC1RAB9AMAOBSMN1; SMN2
SCHEMBL1059842 0.72 KMT2A (0.47) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL23320376 0.72 NPC1 (0.59) MAOANPC1RAB9AMEN1KMT2A
SCHEMBL21437943 0.71 CHRM2 (0.51) MAOACHRM2CHRM4CHRM5CHRM1
SCHEMBL7399616 0.70 CHRM2 (1.00) CHRM2CHRM4CHRM5CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3831383-A1 BROMODOMAIN INHIBITORS Celgene Quanticel Research, Inc. (US) 2021-06-09 — — EP disclosed
EP-3283077-B1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RES INC (US) 2021-03-10 — — EP disclosed
US-10807982-B2 Bromodomain inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2020-10-20 — — US disclosed
US-10807982-B2 Bromodomain inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2020-10-20 — — US disclosed
US-20200071332-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2020-03-05 — — US disclosed
US-20200071332-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2020-03-05 — — US disclosed
US-20180134710-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2018-05-17 — — US disclosed
US-20180134710-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2018-05-17 — — US disclosed
US-20180134710-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2018-05-17 — — US disclosed
US-9908885-B2 Bromodomain inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-03-06 — — US disclosed
US-9908885-B2 Bromodomain inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-03-06 — — US disclosed
US-9908885-B2 Bromodomain inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-03-06 — — US disclosed
EP-3283077-A2 BROMODOMAIN INHIBITOR Celgene Quanticel Research, Inc. (US) 2018-02-21 — — EP disclosed
US-20170050968-A1 BROMODOMAIN INHIBITOR CELGENE QUANTICEL RESEARCH, INC. 2017-02-23 — — US disclosed
US-20170050968-A1 BROMODOMAIN INHIBITOR CELGENE QUANTICEL RESEARCH, INC. 2017-02-23 — — US disclosed
US-20170050968-A1 BROMODOMAIN INHIBITOR CELGENE QUANTICEL RESEARCH, INC. 2017-02-23 — — US disclosed
WO-2016168682-A2 BROMODOMAIN INHIBITOR CELGENE QUANTICEL RESEARCH, INC. (US) 2016-10-20 — — WO disclosed
WO-2016168682-A2 BROMODOMAIN INHIBITOR CELGENE QUANTICEL RESEARCH, INC. (US) 2016-10-20 — — 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 (4 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-20200071332-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 MAOA 3500/4885CHRM2 4459/4885CHRM4 4380/4885
US-20170050968-A1 BROMODOMAIN INHIBITOR BRD3, BRPF3, EP300 MAOA 3524/4885CHRM2 4480/4885CHRM4 4374/4885
US-10807982-B2 Bromodomain inhibitors BRD3, EP300, BRPF3 MAOA 3500/4885CHRM2 4459/4885CHRM4 4380/4885
US-20180134710-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 MAOA 3500/4885CHRM2 4459/4885CHRM4 4380/4885

“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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