SCHEMBL269055

SCHEMBL269055

O=C(Nc1ccc(Br)cc1C(=O)NN=Cc1cccc(F)c1)c1ccncc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.55
RAB9A P51151 6/20 0.54
NPC1 O15118 5/20 0.54
PKM P14618 2/20 0.54
POLB P06746 3/20 0.52
TDP1 Q9NUW8 3/20 0.52
PLEC Q15149 1/20 0.52
CTDSP1 Q9GZU7 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
KMT2A Q03164 6/20 0.50
MEN1 O00255 4/20 0.50
LMNA P02545 1/20 0.49
SLC34A2 O95436 1/20 0.49
SLC34A1 Q06495 1/20 0.49
SLC34A3 Q8N130 1/20 0.49
SLC20A1 Q8WUM9 1/20 0.49
MAPT P10636 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
KDM4E B2RXH2 1/20 0.48
MITF O75030 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
SCHEMBL269054 1.00 CYP2D6 (0.55) CYP2D6RAB9ANPC1PKMPOLB
SCHEMBL266393 0.91 TDP1 (0.61) CYP2D6RAB9ANPC1PKMPOLB
SCHEMBL266392 0.91 TDP1 (0.61) CYP2D6RAB9ANPC1PKMPOLB
SCHEMBL266206 0.90 RAB9A (0.47) CYP2D6RAB9ANPC1PKMPOLB
SCHEMBL266584 0.90 KMT2A (0.59) RAB9ANPC1PKMPOLBTDP1
SCHEMBL266585 0.90 KMT2A (0.59) RAB9ANPC1PKMPOLBTDP1
SCHEMBL268082 0.89 NPC1 (0.60) CYP2D6RAB9ANPC1PKMPOLB
SCHEMBL268083 0.89 NPC1 (0.60) CYP2D6RAB9ANPC1PKMPOLB
SCHEMBL266915 0.88 RAB9A (0.63) CYP2D6RAB9ANPC1PKMPOLB
SCHEMBL266914 0.88 RAB9A (0.63) CYP2D6RAB9ANPC1PKMPOLB

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 CYP2D6 680/4885RAB9A 883/4885NPC1 102/4885
US-20120115851-A1 COMPOUND INHIBITING IN VIVO PHOSPHORUS TRANSPORT AND MEDICINE CONTAINING THE SAME SLC34A1, SLC34A2, SLC20A2 CYP2D6 691/4885RAB9A 1362/4885NPC1 115/4885

“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.