SCHEMBL268532

SCHEMBL268532

Cc1ccc(/C=N/NC(=O)c2cc(Cl)ccc2NC(=O)c2cccc(C(S)c3nc[nH]n3)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.44
RAB9A P51151 8/20 0.44
MAPT P10636 8/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 3/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
KMT2A Q03164 5/20 0.43
MEN1 O00255 3/20 0.43
SLC34A2 O95436 1/20 0.42
SLC34A1 Q06495 1/20 0.42
SLC34A3 Q8N130 1/20 0.42
SLC20A1 Q8WUM9 1/20 0.42
GUSB P08236 5/20 0.42
PKM P14618 3/20 0.41
POLB P06746 3/20 0.40
HPGD P15428 3/20 0.40
ALDH1A1 P00352 3/20 0.40
CTDSP1 Q9GZU7 2/20 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
SCHEMBL269092 0.93 SLC34A2 (0.45) NPC1RAB9AMAPTSMN1; SMN2LMNA
SCHEMBL266118 0.92 SLC34A2 (0.47) NPC1RAB9AMAPTSMN1; SMN2LMNA
SCHEMBL267064 0.91 RAB9A (0.43) NPC1RAB9AMAPTSMN1; SMN2LMNA
SCHEMBL267565 0.89 SLC34A2 (0.55) NPC1RAB9AMAPTSMN1; SMN2LMNA
SCHEMBL266941 0.87 SLC34A2 (0.43) NPC1RAB9AMAPTSMN1; SMN2LMNA
SCHEMBL268412 0.84 RAB9A (0.47) NPC1RAB9AMAPTSMN1; SMN2LMNA
SCHEMBL266893 0.84 KMT2A (0.38) NPC1RAB9AMAPTSMN1; SMN2LMNA
SCHEMBL268527 0.83 MAPT (0.46) NPC1RAB9AMAPTSMN1; SMN2LMNA
SCHEMBL270113 0.81 NPC1 (0.42) NPC1RAB9AMAPTSMN1; SMN2LMNA
SCHEMBL266176 0.80 SLC34A2 (0.37) NPC1RAB9AMAPTKMT2ASLC34A2

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 NPC1 102/4885RAB9A 883/4885MAPT 4195/4885
US-20120115851-A1 COMPOUND INHIBITING IN VIVO PHOSPHORUS TRANSPORT AND MEDICINE CONTAINING THE SAME SLC34A1, SLC34A2, SLC20A2 NPC1 115/4885RAB9A 1362/4885MAPT 4648/4885

“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.