SCHEMBL22734280

SCHEMBL22734280

Cc1c(NC(=O)Cc2ccccc2Cl)ccnc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ ANO1 Q5XXA6 6/20 0.48
▸ KCNQ2 O43526 1/20 0.46
▸ RORA P35398 1/20 0.46
▸ NR2E1 Q9Y466 1/20 0.46
▸ KCNJ5 P48544 3/20 0.45
▸ KCNJ3 P48549 3/20 0.45
▸ P2RX7 Q99572 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ KCNJ6 P48051 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ TP53 P04637 1/20 0.43
▸ GLS O94925 1/20 0.43
▸ BCHE P06276 1/20 0.42

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
SCHEMBL22734270 0.83 TSHR (0.58) ALDH1A1
SCHEMBL22734285 0.78 ANO1 (0.54) ANO1ALDH1A1
SCHEMBL28600470 0.73 KMT2A (0.66) KCNQ2KCNJ5KCNJ3ALDH1A1
SCHEMBL21198480 0.72 ANO1 (0.71) ANO1KCNJ5KCNJ3KCNJ6
SCHEMBL31306626 0.72 ANO1 (0.71) ANO1KCNJ5KCNJ3KCNJ6
SCHEMBL28000208 0.72 GALR3 (0.60) NPC1RAB9AP2RX7THRBALDH1A1
SCHEMBL1307479 0.71 MEN1 (0.54) NPC1RAB9AANO1KCNJ5KCNJ3
SCHEMBL7724422 0.70 MAPT (0.62) NPC1RAB9AKCNQ2KCNJ5KCNJ3
SCHEMBL2184203 0.69 RORA (0.71) NPC1RAB9AANO1RORANR2E1
SCHEMBL30502369 0.69 KCNJ5 (0.68) NPC1RAB9AANO1KCNJ5KCNJ3

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-20200383988-A1 Compounds ENTERPRISE THERAPEUTICS HOLDINGS LIMITED (GB) 2020-12-10 — — 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-20200383988-A1 Compounds CACNA1E, TMEM109, CACNA1A NPC1 324/4885RAB9A 343/4885ANO1 8/4885

“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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