SCHEMBL268291

SCHEMBL268291

Cc1cc(C=NNC(=O)c2cc(Br)ccc2NC(=O)c2ccncc2)oc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
NPC1 O15118 7/20 0.47
KMT2A Q03164 5/20 0.47
RAB9A P51151 4/20 0.47
KDM4E B2RXH2 4/20 0.47
MAPT P10636 4/20 0.47
TDP1 Q9NUW8 3/20 0.47
MEN1 O00255 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
MITF O75030 1/20 0.47
ASF1A Q9Y294 1/20 0.47
PKM P14618 3/20 0.46
POLB P06746 2/20 0.43
BLM P54132 1/20 0.43
KLF5 Q13887 1/20 0.43
CYP1A2 P05177 1/20 0.43
GPR174 Q9BXC1 1/20 0.42
LMNA P02545 3/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL268290 1.00 ALDH1A1 (0.49) ALDH1A1NPC1KMT2ARAB9AKDM4E
SCHEMBL267181 0.89 KMT2A (0.56) ALDH1A1NPC1KMT2ARAB9AKDM4E
SCHEMBL267182 0.89 KMT2A (0.56) ALDH1A1NPC1KMT2ARAB9AKDM4E
SCHEMBL266524 0.89 ALDH1A1 (0.49) ALDH1A1NPC1KMT2ARAB9AKDM4E
SCHEMBL266523 0.89 ALDH1A1 (0.49) ALDH1A1NPC1KMT2ARAB9AKDM4E
SCHEMBL266583 0.87 PKM (0.62) ALDH1A1NPC1KMT2ARAB9AKDM4E
SCHEMBL266582 0.87 PKM (0.62) ALDH1A1NPC1KMT2ARAB9AKDM4E
SCHEMBL265928 0.83 MAPT (0.55) ALDH1A1NPC1KMT2ARAB9AKDM4E
SCHEMBL273542 0.83 MAPT (0.55) ALDH1A1NPC1KMT2ARAB9AKDM4E
SCHEMBL266961 0.82 NPC1 (0.53) ALDH1A1NPC1KMT2ARAB9AKDM4E

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 ALDH1A1 3022/4885NPC1 102/4885KMT2A 4564/4885
US-20120115851-A1 COMPOUND INHIBITING IN VIVO PHOSPHORUS TRANSPORT AND MEDICINE CONTAINING THE SAME SLC34A1, SLC34A2, SLC20A2 ALDH1A1 2872/4885NPC1 115/4885KMT2A 4603/4885

“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.