SCHEMBL4875432

SCHEMBL4875432

COC(=O)c1c(CBr)c(-c2ccsc2)nc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
TACR3 P29371 6/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
MAPT P10636 2/20 0.43
PLAU P00749 1/20 0.40
ELANE P08246 1/20 0.40
PTGER1 P34995 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
PDE10A Q9Y233 1/20 0.40
KCNH2 Q12809 1/20 0.39
GPBAR1 Q8TDU6 1/20 0.39
TACR2 P21452 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
SCHEMBL5420345 0.87 LMNA (0.49) KDM4ETACR3KMT2APOLBALDH1A1
SCHEMBL2372595 0.87 SMN1; SMN2 (0.54) KDM4ETACR3MEN1KMT2ASMN1; SMN2
SCHEMBL4875991 0.85 KDM4E (0.55) KDM4ETACR3MEN1KMT2ASMN1; SMN2
SCHEMBL4868977 0.82 MEN1 (0.54) KDM4ETACR3MEN1KMT2ASMN1; SMN2
SCHEMBL4668037 0.79 TACR3 (0.53) TACR3MEN1KMT2ASMN1; SMN2
SCHEMBL2373281 0.79 KDM4E (0.55) KDM4ETACR3MEN1KMT2ASMN1; SMN2
SCHEMBL27729454 0.77 LMNA (0.53) KDM4ETACR3MEN1KMT2ASMN1; SMN2
SCHEMBL2372559 0.76 TRPV4 (0.50) KDM4ETACR3SMN1; SMN2KCNH2TACR2
SCHEMBL14115125 0.74 SMN1; SMN2 (0.54) KDM4ETACR3MEN1KMT2ASMN1; SMN2
SCHEMBL4879923 0.74 PDE10A (0.72) TACR3KMT2ALMNATSHRPDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080261945-A1 Compounds Having Activity at Nk3 Receptor and Uses Thereof in Medicine SMITHKLINE BEECHAM CORPORATION (US) 2008-10-23 US disclosed
US-20080261945-A1 Compounds Having Activity at Nk3 Receptor and Uses Thereof in Medicine SMITHKLINE BEECHAM CORPORATION (US) 2008-10-23 US disclosed
US-20080261945-A1 Compounds Having Activity at Nk3 Receptor and Uses Thereof in Medicine SMITHKLINE BEECHAM CORPORATION (US) 2008-10-23 US disclosed
WO-2006050991-A1 COMPOUNDS HAVING ACTIVITY AT NK3 RECEPTOR AND USES THEREOF IN MEDICINE SMITHKLINE BEECHAM CORPORATION (US) 2006-05-18 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-20080261945-A1 Compounds Having Activity at Nk3 Receptor and Uses Thereof in Medicine CNR1, ACKR3, HCAR3 KDM4E 3142/4885TACR3 41/4885MEN1 2207/4885

“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.