SCHEMBL2070604

SCHEMBL2070604

Cc1cc(C)c(-c2cccc3c2c(=O)c(Br)cn3Cc2ccccc2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.40
C5AR1 P21730 1/20 0.40
P2RX7 Q99572 2/20 0.40
CHRM1 P11229 2/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
HTR3A P46098 2/20 0.38
LMNA P02545 2/20 0.38
KMT2A Q03164 1/20 0.37
BRD4 O60885 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL2071240 0.90 C5AR1 (0.42) TP53C5AR1CHRM1SIRT2HTR3A
SCHEMBL2069665 0.80 SMN1; SMN2 (0.45) TP53C5AR1HTR3ALMNAKMT2A
SCHEMBL2070228 0.77 C5AR1 (0.44) C5AR1CHRM1HTR3AKMT2A
SCHEMBL2070803 0.73 C5AR1 (0.39) C5AR1CHRM1HTR3ALMNAKMT2A
SCHEMBL2071363 0.73 RORC (0.38) C5AR1CHRM1HTR3A
SCHEMBL2070698 0.71 KDM4E (0.40) TP53
SCHEMBL23674627 0.70 LMNA (0.64) TP53SIRT2LMNAKMT2A
SCHEMBL30100786 0.70 LMNA (0.64) TP53SIRT2LMNAKMT2A
SCHEMBL16475225 0.68 HPGD (0.49) P2RX7KMT2ABRD4HPGD
SCHEMBL2069888 0.66 LMNA (0.65) TP53CHRM1LMNA

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
EP-2522670-A1 Heterocyclic CRF receptor antagonists Takeda Pharmaceutical Company Limited (JP) 2012-11-14 EP 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-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
US-20070179165-A1 Cyclic compounds GYORKOS ALBERT C 2007-08-02 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 TP53 4425/4885C5AR1 228/4885P2RX7 209/4885

“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.