SCHEMBL11923282

SCHEMBL11923282

CC(C)N(C(=O)c1cnc(N2CCOCC2)nc1-c1ccccc1F)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ PIK3CA P42336 4/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ BCR P11274 1/20 0.37
▸ ALOX5AP P20292 1/20 0.37
▸ FEN1 P39748 1/20 0.37
▸ PIK3R1 P27986 1/20 0.36
▸ TACR1 P25103 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ WDR5 P61964 1/20 0.36

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
SCHEMBL11923259 0.92 SLC6A2 (0.39) LMNAALDH1A1POLBNPSR1TACR1
SCHEMBL11923223 0.89 PTPN11 (0.43) LMNAALDH1A1PIK3CAKDM4ENPSR1
SCHEMBL8267659 0.88 WDR5 (0.44) PIK3CAABL1BCRALOX5APFEN1
SCHEMBL11923270 0.86 WDR5 (0.43) LMNAALDH1A1PIK3CAWDR5
SCHEMBL11923275 0.86 TACR1 (0.40) PIK3CAPOLBABL1BCRALOX5AP
SCHEMBL8268304 0.85 ALDH1A1 (0.42) ALDH1A1PIK3CAABL1BCRALOX5AP
SCHEMBL11923212 0.83 PIK3CA (0.38) LMNAALDH1A1PIK3CANPSR1ABL1
SCHEMBL8266903 0.83 OGA (0.38) PIK3CAABL1BCRALOX5APFEN1
SCHEMBL11923285 0.82 CYP1A2 (0.44) LMNAALDH1A1TP53MAPTWDR5
SCHEMBL11923217 0.81 PIK3CA (0.40) LMNAALDH1A1PIK3CAKDM4EABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546414-B2 Ion channel modulators and methods of use VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-10-01 — — US disclosed
US-8546414-B2 Ion channel modulators and methods of use VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-10-01 — — US disclosed
US-20120270318-A1 ION CHANNEL MODULATORS AND METHODS OF USE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-25 — — US disclosed
US-20120270318-A1 ION CHANNEL MODULATORS AND METHODS OF USE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-25 — — US disclosed
US-8236815-B2 Ion channel modulators and methods of uses VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-07 — — US disclosed
US-7767680-B2 Ion channel modulators and methods of use VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-03 — — US disclosed
US-20100184753-A1 Ion Channel Modulators and Methods of Uses VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-22 — — 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-20100184753-A1 Ion Channel Modulators and Methods of Uses CACNA1G, CACNA1C, CACNA1B LMNA 2537/4885ALDH1A1 3514/4885PIK3CA 1471/4885

“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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