SCHEMBL7737735

SCHEMBL7737735

CC(=O)Nc1ccc2c(c1)C(C(C)C)=CCC2c1ccc(Cl)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
SLC6A4 P31645 8/20 0.38
SLC6A2 P23975 7/20 0.38
SLC6A3 Q01959 7/20 0.38
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAOA P21397 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
IDO1 P14902 1/20 0.37
ATAD2 Q6PL18 1/20 0.37
CECR2 Q9BXF3 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
SCHEMBL3362841 1.00 RORC (0.39) RORCSMN1; SMN2SLC6A4SLC6A2SLC6A3
SCHEMBL3363442 0.80 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3
SCHEMBL3363433 0.80 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3
SCHEMBL7741971 0.80 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3
SCHEMBL7737731 0.78 BAZ2B (0.43) RORCSLC6A4SLC6A2SLC6A3ALDH1A1
SCHEMBL3362538 0.78 BAZ2B (0.43) RORCSLC6A4SLC6A2SLC6A3ALDH1A1
SCHEMBL3362323 0.76 SLC6A2 (0.50) SLC6A4SLC6A2SLC6A3MAPTMEN1
SCHEMBL20341083 0.75 SLC6A2 (0.44) SMN1; SMN2SLC6A4SLC6A2SLC6A3MAPT
SCHEMBL331963 0.75 SLC6A2 (0.44) SMN1; SMN2SLC6A4SLC6A2SLC6A3MAPT
SCHEMBL29757853 0.75 SLC6A2 (0.44) SMN1; SMN2SLC6A4SLC6A2SLC6A3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 US disclosed
US-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 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-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES HTR1A, HTR3B, HTR3A RORC 4382/4885SMN1; SMN2 862/4885SLC6A4 34/4885

“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.