SCHEMBL16598693

SCHEMBL16598693

O=C(c1cccc(Br)c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.74
ALDH1A1 P00352 4/20 0.70
TP53 P04637 2/20 0.70
HPGD P15428 3/20 0.62
USP2 O75604 2/20 0.58
CYP3A4 P08684 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
TSHR P16473 1/20 0.58
MGLL Q99685 1/20 0.57
CA12 O43570 2/20 0.56
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
CA7 P43166 2/20 0.56
CA9 Q16790 2/20 0.56
CA14 Q9ULX7 2/20 0.56
KDM4E B2RXH2 2/20 0.56
KMT2A Q03164 3/20 0.55
NPSR1 Q6W5P4 4/20 0.53

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
SCHEMBL31350986 0.85 MAOB (1.00) MAOBALDH1A1HPGDUSP2CYP1A2
SCHEMBL4753326 0.84 USP2 (0.80) MAOBALDH1A1TP53HPGDUSP2
SCHEMBL31350890 0.84 USP2 (0.80) MAOBALDH1A1TP53HPGDUSP2
SCHEMBL4754213 0.84 MAOB (0.74) MAOBALDH1A1HPGDUSP2CYP3A4
SCHEMBL16598958 0.83 MAOB (0.64) MAOBALDH1A1HPGDUSP2CYP1A2
SCHEMBL30961614 0.83 MAOB (0.64) MAOBALDH1A1HPGDUSP2CYP1A2
SCHEMBL4753142 0.81 MAOB (0.68) MAOBALDH1A1HPGDUSP2CYP3A4
SCHEMBL16598752 0.80 MAOB (0.71) MAOBALDH1A1HPGDUSP2TSHR
SCHEMBL30961610 0.79 MAOB (0.59) MAOBALDH1A1HPGDUSP2CYP3A4
SCHEMBL7336017 0.79 MAOB (0.65) MAOBALDH1A1TP53HPGDUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9776979-B2 EBI2 modulators SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2017-10-03 US disclosed
US-9776979-B2 EBI2 modulators SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2017-10-03 US disclosed
US-9776979-B2 EBI2 modulators SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2017-10-03 US disclosed
US-20160214951-A1 EBI2 MODULATORS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2016-07-28 US disclosed
US-20160214951-A1 EBI2 MODULATORS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2016-07-28 US disclosed
US-20160214951-A1 EBI2 MODULATORS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2016-07-28 US disclosed
WO-2015048570-A2 EBI2 MODULATORS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2015-04-02 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 (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-20160214951-A1 EBI2 MODULATORS BIRC2, HAVCR2, MAVS MAOB 4298/4885ALDH1A1 4277/4885TP53 1521/4885

“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.