SCHEMBL2071263

SCHEMBL2071263

O=c1ccn(Cc2ccccc2)c2cccc(Br)c12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
HTT P42858 3/20 0.47
KDM4E B2RXH2 1/20 0.47
TP53 P04637 1/20 0.47
CYP2D6 P10635 1/20 0.47
HTR6 P50406 3/20 0.44
MAPK14 Q16539 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
GRM2 Q14416 1/20 0.42
LMNA P02545 1/20 0.40
CYP1B1 Q16678 1/20 0.40
NPC1 O15118 1/20 0.39
APP P05067 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC8 Q9BY41 1/20 0.39

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
SCHEMBL4937586 0.78 HTR6 (0.60) SMN1; SMN2TP53CYP2D6HTR6MEN1
SCHEMBL29696630 0.77 HTR6 (0.55) SMN1; SMN2HTTKDM4ETP53CYP2D6
SCHEMBL17111036 0.77 HTR6 (0.55) SMN1; SMN2HTTKDM4ETP53CYP2D6
SCHEMBL2069888 0.73 LMNA (0.65) TP53LMNA
SCHEMBL2069665 0.73 SMN1; SMN2 (0.45) SMN1; SMN2HTTKDM4ETP53CYP2D6
SCHEMBL20886796 0.73 SMN1; SMN2 (0.47) SMN1; SMN2HTTKDM4ETP53CYP2D6
SCHEMBL16899407 0.70 MAPK14 (0.53) SMN1; SMN2HTTKDM4EMAPK14ALDH1A1
SCHEMBL20877352 0.70 KDM4E (0.36) KDM4EALDH1A1GRM2
SCHEMBL4943939 0.68 APP (0.52) KDM4EHTR6MAPK14ALDH1A1GRM2
SCHEMBL31518076 0.68 KCNA3 (0.50) SMN1; SMN2HTTKDM4ETP53CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019070742-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 (ASK 1) INHIBITOR COMPOUNDS SIDECAR THERAPEUTICS, INC. (US) 2019-04-11 WO disclosed
WO-2019070742-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 (ASK 1) INHIBITOR COMPOUNDS SIDECAR THERAPEUTICS, INC. (US) 2019-04-11 WO disclosed
EP-2522670-A1 Heterocyclic CRF receptor antagonists Takeda Pharmaceutical Company Limited (JP) 2012-11-14 EP disclosed
US-7897607-B2 Cyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-01 US disclosed
US-20070179165-A1 Cyclic compounds GYORKOS ALBERT C 2007-08-02 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-20070179165-A1 Cyclic compounds CRHR1, CRHR2, MC2R SMN1; SMN2 4009/4885HTT 3339/4885KDM4E 3537/4885

“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.