SCHEMBL6541142

SCHEMBL6541142

CCC(=Cc1cnn(C)c1NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
PTGS1 P23219 4/20 0.35
ACSS2 Q9NR19 3/20 0.35
TBXAS1 P24557 2/20 0.35
GAA P10253 1/20 0.34
EPHX2 P34913 2/20 0.33
PPARG P37231 1/20 0.33
KMT2A Q03164 1/20 0.32
LPAR1 Q92633 1/20 0.31
KCNN4 O15554 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
CASP3 P42574 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31

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
SCHEMBL6541137 1.00 NPC1 (0.35) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL4205063 0.79 ALDH1A1 (0.36) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL5148517 0.78 NPC1 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL6425423 0.75 HPGD (0.40) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL17853170 0.73 KDM4C (0.42) SMN1; SMN2ALDH1A1KDM4EGAALPAR1
SCHEMBL17853169 0.71 ALDH1A1 (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL5151807 0.71 RORC (0.35) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL5151801 0.71 RORC (0.35) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL3119092 0.71 LPAR1 (0.38) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL4204205 0.71 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDKMT2ALPAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040248875-A1 Cephem compounds ASTELLAS PHARMA INC. (JP) 2004-12-09 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-20040248875-A1 Cephem compounds CEP170, C1S, SLC7A1 NPC1 223/4885RAB9A 2742/4885SMN1; SMN2 1766/4885

“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.