SCHEMBL10192552

SCHEMBL10192552

Cc1cccc(NC(=O)c2ccccc2OC(=O)CCCC(=O)O)c1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.53
▸ RAB9A P51151 4/20 0.53
▸ LMNA P02545 2/20 0.53
▸ HSD17B10 Q99714 2/20 0.53
▸ TP53 P04637 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ POLB P06746 2/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ KDM4E B2RXH2 3/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.48
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ RECQL P46063 1/20 0.47
▸ CRHBP P24387 1/20 0.46
▸ CRHR2 Q13324 1/20 0.46
▸ TDP1 Q9NUW8 3/20 0.46
▸ MAOB P27338 1/20 0.45
▸ HDAC3 O15379 1/20 0.43
▸ HDAC4 P56524 1/20 0.43

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
SCHEMBL2700124 0.80 NPC1 (0.63) NPC1RAB9ALMNAHSD17B10TP53
SCHEMBL1265152 0.80 PPARG (0.51) RAB9ALMNATSHRPOLBKDM4E
SCHEMBL16887727 0.77 KDM4E (0.53) LMNATSHRKDM4EMEN1KMT2A
SCHEMBL14426828 0.75 HDAC3 (0.73) HSD17B10HTTPOLBSMN1; SMN2KDM4E
SCHEMBL28417977 0.74 KDM4E (0.74) LMNAHSD17B10TSHRHTTKDM4E
SCHEMBL28372094 0.74 KDM4E (0.53) LMNATSHRKDM4ERXFP1MEN1
SCHEMBL12740041 0.73 SMN1; SMN2 (0.49) HSD17B10TSHRSMN1; SMN2KDM4EMEN1
SCHEMBL28370999 0.73 KDM4E (0.51) TSHRKDM4ERXFP1MEN1KMT2A
SCHEMBL11593115 0.73 KDM4E (0.51) TSHRKDM4ERXFP1MEN1KMT2A
SCHEMBL28366840 0.73 KDM4E (0.51) TSHRKDM4ERXFP1MEN1KMT2A

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-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 4295/4885LMNA 3131/4885

“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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