SCHEMBL268580

SCHEMBL268580

COc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2C(=O)NN)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.64
MEN1 O00255 5/20 0.64
RAB9A P51151 3/20 0.64
NPC1 O15118 2/20 0.64
USP2 O75604 2/20 0.64
MAPT P10636 6/20 0.56
TP53 P04637 1/20 0.56
ALDH1A1 P00352 4/20 0.55
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
POLB P06746 2/20 0.53
PKM P14618 1/20 0.53
CHEK1 O14757 1/20 0.50
PIM1 P11309 1/20 0.50
MAPK8 P45983 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
KDM4E B2RXH2 1/20 0.49
RXFP1 Q9HBX9 1/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL266262 0.87 KMT2A (0.61) KMT2AMEN1RAB9ANPC1USP2
SCHEMBL341059 0.80 MEN1 (0.61) KMT2AMEN1RAB9ANPC1USP2
SCHEMBL267988 0.80 NPC1 (0.52) KMT2AMEN1RAB9ANPC1USP2
SCHEMBL268051 0.80 KMT2A (0.58) KMT2AMEN1RAB9ANPC1USP2
SCHEMBL267987 0.80 NPC1 (0.52) KMT2AMEN1RAB9ANPC1USP2
SCHEMBL268052 0.80 KMT2A (0.58) KMT2AMEN1RAB9ANPC1USP2
SCHEMBL269026 0.78 HTT (0.53) KMT2AMEN1RAB9ANPC1USP2
SCHEMBL267870 0.78 NPC1 (0.58) KMT2AMEN1RAB9ANPC1USP2
SCHEMBL267869 0.78 NPC1 (0.58) KMT2AMEN1RAB9ANPC1USP2
SCHEMBL269025 0.78 HTT (0.53) KMT2AMEN1RAB9ANPC1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115851-A1 COMPOUND INHIBITING IN VIVO PHOSPHORUS TRANSPORT AND MEDICINE CONTAINING THE SAME KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-05-10 US disclosed
US-8134015-B2 Compound inhibiting in vivo phosphorous transport and medicine containing the same KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-03-13 US disclosed
US-20060217426-A1 Compound inhibiting in vivo phosphorous transport and medicine containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-09-28 US disclosed
EP-1614676-A1 COMPOUND INHIBITING IN VIVO PHOSPHORUS TRANSPORT AND MEDICINE CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2006-01-11 EP 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 (2 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-20060217426-A1 Compound inhibiting in vivo phosphorous transport and medicine containing the same SLC10A6, SLC7A1, SLC10A1 KMT2A 4564/4885MEN1 1194/4885RAB9A 883/4885
US-20120115851-A1 COMPOUND INHIBITING IN VIVO PHOSPHORUS TRANSPORT AND MEDICINE CONTAINING THE SAME SLC34A1, SLC34A2, SLC20A2 KMT2A 4603/4885MEN1 1638/4885RAB9A 1362/4885

“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.