SCHEMBL2700124

SCHEMBL2700124

CC(=O)Oc1ccccc1C(=O)Nc1cccc(C)c1C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.63
▸ RAB9A P51151 5/20 0.63
▸ HSD17B10 Q99714 4/20 0.63
▸ TSHR P16473 3/20 0.63
▸ LMNA P02545 2/20 0.63
▸ HTT P42858 2/20 0.63
▸ TP53 P04637 1/20 0.63
▸ POLB P06746 2/20 0.58
▸ KDM4E B2RXH2 3/20 0.56
▸ RXFP1 Q9HBX9 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ MAOB P27338 2/20 0.52
▸ MAOA P21397 1/20 0.52
▸ CRHBP P24387 1/20 0.51
▸ CRHR2 Q13324 1/20 0.51
▸ PTGS2 P35354 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ HPGD P15428 2/20 0.50
▸ TOP1 P11387 1/20 0.50
▸ ESR1 P03372 1/20 0.50

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
SCHEMBL5436153 0.86 HSD17B10 (0.56) NPC1RAB9AHSD17B10TSHRLMNA
SCHEMBL10192552 0.80 NPC1 (0.53) NPC1RAB9AHSD17B10TSHRLMNA
SCHEMBL167923 0.79 MAPT (0.53) HSD17B10TSHRLMNATP53KDM4E
Mefenamic Acid SCHEMBL11788892 0.78 PTGS2 (0.56) NPC1RAB9AHSD17B10TSHRLMNA
SCHEMBL29438754 0.78 NPC1 (0.72) NPC1RAB9AHSD17B10TSHRLMNA
SCHEMBL14096441 0.77 ALDH1A1 (0.60) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL4070408 0.77 RAB9A (0.59) NPC1RAB9ATSHRTP53KDM4E
SCHEMBL7189667 0.77 NPC1 (0.71) NPC1RAB9AHSD17B10TSHRLMNA
SCHEMBL4339259 0.77 HSD17B10 (0.49) NPC1RAB9AHSD17B10TSHRLMNA
SCHEMBL4342465 0.77 HSD17B10 (0.52) NPC1RAB9AHSD17B10TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012058378-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF SALICYLANILIDES FOR TREATMENT OF HEPATITIS VIRUSES ROMARK LABORATORIES L.C. (US) 2012-05-03 — — WO disclosed
WO-2012058378-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF SALICYLANILIDES FOR TREATMENT OF HEPATITIS VIRUSES ROMARK LABORATORIES L.C. (US) 2012-05-03 — — WO disclosed
US-20120108592-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF SALICYLANILIDES FOR TREATMENT OF HEPATITIS VIRUSES ROMARK LABORATORIES, L.C. 2012-05-03 — — US disclosed
US-20120108592-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF SALICYLANILIDES FOR TREATMENT OF HEPATITIS VIRUSES ROMARK LABORATORIES, L.C. 2012-05-03 — — US disclosed
US-20120108592-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF SALICYLANILIDES FOR TREATMENT OF HEPATITIS VIRUSES ROMARK LABORATORIES, L.C. 2012-05-03 — — 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-20120108592-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF SALICYLANILIDES FOR TREATMENT OF HEPATITIS VIRUSES PYGL, GYS2, GLS2 NPC1 2616/4885RAB9A 4295/4885HSD17B10 224/4885

“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.

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