SCHEMBL268527

SCHEMBL268527

O=C(Nc1ccc(Br)cc1C(=O)N/N=C/c1ccc(F)cc1)c1cccc(C(S)c2nc[nH]n2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
ALDH1A1 P00352 1/20 0.46
RAB9A P51151 9/20 0.44
KMT2A Q03164 8/20 0.44
MEN1 O00255 6/20 0.44
NPC1 O15118 9/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
POLB P06746 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GAA P10253 2/20 0.41
PKM P14618 4/20 0.41
CTDSP1 Q9GZU7 1/20 0.40
LMNA P02545 2/20 0.39
SLC34A2 O95436 1/20 0.38
SLC34A1 Q06495 1/20 0.38
SLC34A3 Q8N130 1/20 0.38
SLC20A1 Q8WUM9 1/20 0.38

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
SCHEMBL266841 0.93 SLC34A2 (0.45) MAPTALDH1A1RAB9AKMT2AMEN1
SCHEMBL267064 0.92 RAB9A (0.43) MAPTALDH1A1RAB9AKMT2AMEN1
SCHEMBL266118 0.91 SLC34A2 (0.47) MAPTALDH1A1RAB9AKMT2AMEN1
SCHEMBL266893 0.90 KMT2A (0.38) MAPTALDH1A1RAB9AKMT2AMEN1
SCHEMBL268412 0.89 RAB9A (0.47) MAPTALDH1A1RAB9AKMT2AMEN1
SCHEMBL266176 0.87 SLC34A2 (0.37) MAPTRAB9AKMT2ANPC1POLB
SCHEMBL266976 0.85 RAB9A (0.48) MAPTALDH1A1RAB9AKMT2AMEN1
SCHEMBL267565 0.84 SLC34A2 (0.55) MAPTRAB9AKMT2AMEN1NPC1
SCHEMBL268532 0.83 NPC1 (0.44) MAPTALDH1A1RAB9AKMT2AMEN1
SCHEMBL268493 0.81 RAB9A (0.44) MAPTALDH1A1RAB9AKMT2AMEN1

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 MAPT 4195/4885ALDH1A1 3022/4885RAB9A 883/4885
US-20120115851-A1 COMPOUND INHIBITING IN VIVO PHOSPHORUS TRANSPORT AND MEDICINE CONTAINING THE SAME SLC34A1, SLC34A2, SLC20A2 MAPT 4648/4885ALDH1A1 2872/4885RAB9A 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.