SCHEMBL999784

SCHEMBL999784

O=C(Nc1cc2ccccc2cc1C(=O)N1CCC(n2nnc3ccccc32)CC1)C(c1cccc2ccccc12)P(=O)(O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CMA1 P23946 3/20 0.46
CTSG P08311 4/20 0.45
MASP2 O00187 1/20 0.45
ALDH1A1 P00352 4/20 0.45
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
JAK1 P23458 1/20 0.43
USP2 O75604 2/20 0.42
HSD17B10 Q99714 2/20 0.41
ALOX15 P16050 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
TNKS O95271 1/20 0.40
PARP1 P09874 1/20 0.40

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
SCHEMBL1051338 0.83 HSD11B1 (0.49) CYP3A4
SCHEMBL997555 0.82 CTSG (0.52) CMA1CTSGMASP2CYP2D6
SCHEMBL1000516 0.80 UBE2M (0.51) MEN1KMT2ACMA1CTSGMASP2
SCHEMBL998504 0.79 CMA1 (0.50) NPC1RAB9ACMA1CTSGMASP2
SCHEMBL1052408 0.79 KDM4E (0.48) CMA1CTSGMASP2ALDH1A1KDM4E
SCHEMBL997627 0.78 CMA1 (0.47) CMA1CTSGMASP2ALDH1A1CYP2D6
SCHEMBL438837 0.77 AVPR1A (0.48) CMA1CTSGMASP2TNKSPARP1
SCHEMBL1002023 0.76 CTSG (0.48) CMA1CTSGMASP2
SCHEMBL1080198 0.76 CTSG (0.48) CMA1CTSGMASP2JAK1
SCHEMBL1001651 0.74 CMA1 (0.50) CMA1CTSGMASP2

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
US-8222431-B2 Process for synthesizing phosphonic and phosphinic acid compounds JANSSEN PHARMACEUTICA N.V. (BE) 2012-07-17 US claimed
JP-2011500682-A 2011-01-06 JP claimed
EP-2211867-A1 PROCESS FOR SYNTHESIZING PHOSPHONIC AND PHOSPHINIC ACID COMPOUNDS Janssen Pharmaceutica N.V. (BE) 2010-08-04 EP claimed
US-20090124801-A1 Process for synthesizing phosphonic and phosphinic acid compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-05-14 US claimed
WO-2009051746-A1 PROCESS FOR SYNTHESIZING PHOSPHONIC AND PHOSPHINIC ACID COMPOUNDS JANSSEN PHARMACEUTICA, N.V. (BE) 2009-04-23 WO claimed

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-20090124801-A1 Process for synthesizing phosphonic and phosphinic acid compounds CMA1, PPA1, CPN1 MEN1 381/4885NPC1 2241/4885RAB9A 2369/4885

“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.