SCHEMBL273695

SCHEMBL273695

Cc1ccc(/C=N/NC(=O)c2cc(I)ccc2NC(=O)c2cccc(CN3CCC(N4CCCCC4)CC3)c2)cc1C

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 5/20 0.44
SLC34A2 O95436 5/20 0.43
KDR P35968 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
CCR5 P51681 1/20 0.39
SIGMAR1 Q99720 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
SCHEMBL265724 1.00 ACKR3 (0.44) ACKR3SLC34A2KDRTDP1CCR5
SCHEMBL274290 0.93 MEN1 (0.42) ACKR3SLC34A2TDP1SIGMAR1
SCHEMBL265952 0.93 MEN1 (0.42) ACKR3SLC34A2TDP1SIGMAR1
SCHEMBL274045 0.92 SLC34A2 (0.47) ACKR3SLC34A2SLC34A1SLC34A3SLC20A1
SCHEMBL267900 0.92 SLC34A2 (0.47) ACKR3SLC34A2SLC34A1SLC34A3SLC20A1
SCHEMBL268140 0.92 ACKR3 (0.45) ACKR3SLC34A2TDP1SIGMAR1SLC34A1
SCHEMBL273680 0.92 ACKR3 (0.45) ACKR3SLC34A2TDP1SIGMAR1SLC34A1
SCHEMBL273682 0.91 NPC1 (0.44) SLC34A2TDP1SIGMAR1SLC34A1SLC34A3
SCHEMBL267724 0.91 NPC1 (0.44) SLC34A2TDP1SIGMAR1SLC34A1SLC34A3
SCHEMBL268571 0.91 MEN1 (0.42) SLC34A2TDP1SIGMAR1SLC34A1SLC34A3

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-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-8134015-B2 Compound inhibiting in vivo phosphorous transport and medicine containing the same KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-03-13 US 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 (1 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-20120115851-A1 COMPOUND INHIBITING IN VIVO PHOSPHORUS TRANSPORT AND MEDICINE CONTAINING THE SAME SLC34A1, SLC34A2, SLC20A2 ACKR3 809/4885SLC34A2 2/4885KDR 1104/4885

“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.