SCHEMBL4868977

SCHEMBL4868977

COC(=O)c1c(CBr)c(-c2cccs2)nc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
TACR3 P29371 1/20 0.47
CYP2C9 P11712 2/20 0.46
LMNA P02545 2/20 0.45
MAPT P10636 6/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 3/20 0.43
TP53 P04637 3/20 0.43
POLB P06746 2/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.43
GBA1 P04062 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
ADORA2A P29274 1/20 0.42

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
SCHEMBL8267084 0.89 MEN1 (0.54) MEN1KMT2ATACR3CYP2C9LMNA
SCHEMBL5420651 0.87 DHODH (0.48) MEN1KMT2ATACR3CYP2C9LMNA
SCHEMBL2372595 0.84 SMN1; SMN2 (0.54) MEN1KMT2ATACR3LMNAMAPT
SCHEMBL4877723 0.83 CYP2C9 (0.59) MEN1KMT2ATACR3CYP2C9LMNA
SCHEMBL4875432 0.82 KDM4E (0.49) MEN1KMT2ATACR3LMNAMAPT
SCHEMBL14564772 0.77 CYP2C9 (0.77) TACR3CYP2C9
SCHEMBL2373281 0.76 KDM4E (0.55) MEN1KMT2ATACR3LMNAMAPT
SCHEMBL4668037 0.76 TACR3 (0.53) MEN1KMT2ATACR3CYP2C9SMN1; SMN2
SCHEMBL27729454 0.75 LMNA (0.53) MEN1KMT2ATACR3LMNAMAPT
SCHEMBL18396429 0.75 MEN1 (0.48) MEN1KMT2ATACR3CYP2C9LMNA

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-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
EP-1812398-A1 COMPOUNDS HAVING ACTIVITY AT NK3 RECEPTOR AND USES THEREOF IN MEDICINE SmithKline Beecham Corporation (US) 2007-08-01 EP disclosed
EP-1809606-A1 COMPOUNDS HAVING ACTIVITY AT NK3 RECEPTOR AND USES THEREOF IN MEDICINE SmithKline Beecham Corporation (US) 2007-07-25 EP disclosed
WO-2006050991-A1 COMPOUNDS HAVING ACTIVITY AT NK3 RECEPTOR AND USES THEREOF IN MEDICINE SMITHKLINE BEECHAM CORPORATION (US) 2006-05-18 WO disclosed
WO-2006050992-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 MEN1 2207/4885KMT2A 2462/4885TACR3 41/4885

“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.