SCHEMBL6617519

SCHEMBL6617519

COc1cc2c(cc1C=O)N(C)C(=O)CS2

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.55
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
MAPK1 P28482 2/20 0.48
POLB P06746 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 8/20 0.47
ALDH1A1 P00352 8/20 0.47
KDM4E B2RXH2 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
TSHR P16473 1/20 0.44
CLK1 P49759 1/20 0.41
PDE3B Q13370 2/20 0.40
PDE3A Q14432 2/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.38
MCOLN3 Q8TDD5 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
SCHEMBL27433545 0.80 MAPT (0.59) LMNAMEN1KMT2AMAPK1POLB
SCHEMBL6075049 0.75 ALDH1A1 (0.50) LMNAMEN1KMT2APOLBSMN1; SMN2
SCHEMBL6604519 0.75 ALDH1A1 (0.44) LMNAMEN1KMT2APOLBSMN1; SMN2
SCHEMBL4156212 0.74 CYP11B1 (0.48) LMNAMEN1KMT2APOLBSMN1; SMN2
SCHEMBL6605512 0.74 CYP11B1 (0.51) LMNAPOLBSMN1; SMN2MAPTALDH1A1
SCHEMBL6619979 0.72 LMNA (0.54) LMNAMAPK1POLBSMN1; SMN2MAPT
SCHEMBL6074259 0.72 ALDH1A1 (0.44) LMNAPOLBSMN1; SMN2MAPTALDH1A1
SCHEMBL6603785 0.72 ALDH1A1 (0.47) LMNAMEN1KMT2APOLBSMN1; SMN2
SCHEMBL6073885 0.71 ALDH1A1 (0.46) LMNAMEN1KMT2APOLBSMN1; SMN2
SCHEMBL6618443 0.71 LMNA (1.00) LMNAMEN1KMT2AMAPK1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1175417-B1 SUBSTITUTED BENZOLACTAM COMPOUNDS PFIZER PROD INC (US) 2004-01-07 EP disclosed
US-20030105124-A1 Substituted benzolactam compounds SOBOLOV-JAYNES SUSAN BETH (US) 2003-06-05 US disclosed
US-20020052503-A1 Substituted benzolactam compounds as substance p antagonists WAKABAYASHI HIROAKI (JP) 2002-05-02 US disclosed
EP-1175417-A1 SUBSTITUTED BENZOLACTAM COMPOUNDS Pfizer Products Inc. (US) 2002-01-30 EP disclosed
US-6288225-B1 Substituted benzolactam compounds as substance P antagonists PFIZER INC 2001-09-11 US disclosed
EP-0840732-B1 SUBSTITUTED BENZOLACTAM COMPOUNDS AS SUBSTANCE P ANTAGONISTS PFIZER (US) 2001-03-07 EP disclosed
US-6180647-B1 GASTROINTESTINAL DISORDERS; NERVOUS SYSTEM DISORDERS PFIZER INC. 2001-01-30 US disclosed
WO-2000068224-A1 SUBSTITUTED BENZOLACTAM COMPOUNDS PFIZER PRODUCTS INC. (US) 2000-11-16 WO disclosed
EP-0840732-A1 SUBSTITUTED BENZOLACTAM COMPOUNDS AS SUBSTANCE P ANTAGONISTS PFIZER INC. (US) 1998-05-13 EP disclosed
WO-1997003066-A1 SUBSTITUTED BENZOLACTAM COMPOUNDS AS SUBSTANCE P ANTAGONISTS PFIZER PHARMACEUTICALS INC. (JP) 1997-01-30 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 (2 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-20030105124-A1 Substituted benzolactam compounds NPY1R, HAX1, CBR1 LMNA 1822/4885MEN1 2234/4885KMT2A 134/4885
US-20020052503-A1 Substituted benzolactam compounds as substance p antagonists NPY1R, OPRM1, OPRL1 LMNA 2094/4885MEN1 2552/4885KMT2A 2686/4885

“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.