SCHEMBL268486

SCHEMBL268486

CCc1ccc(C(=O)Nc2ccc(Br)cc2C(=O)NN=Cc2cccc(F)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.52
RAB9A P51151 6/20 0.52
NPC1 O15118 5/20 0.52
TDP1 Q9NUW8 3/20 0.52
POLB P06746 3/20 0.52
CTDSP1 Q9GZU7 2/20 0.52
PLEC Q15149 1/20 0.52
SLC34A2 O95436 1/20 0.51
SLC34A1 Q06495 1/20 0.51
SLC34A3 Q8N130 1/20 0.51
SLC20A1 Q8WUM9 1/20 0.51
KMT2A Q03164 6/20 0.47
MEN1 O00255 5/20 0.47
HPGD P15428 4/20 0.47
ALDH1A1 P00352 3/20 0.47
THRB P10828 1/20 0.47
NPSR1 Q6W5P4 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL268485 1.00 SMN1; SMN2 (0.52) SMN1; SMN2RAB9ANPC1TDP1POLB
SCHEMBL266392 0.90 TDP1 (0.61) SMN1; SMN2RAB9ANPC1TDP1POLB
SCHEMBL266393 0.90 TDP1 (0.61) SMN1; SMN2RAB9ANPC1TDP1POLB
SCHEMBL267875 0.90 SMN1; SMN2 (0.64) SMN1; SMN2RAB9ANPC1TDP1POLB
SCHEMBL267876 0.90 SMN1; SMN2 (0.64) SMN1; SMN2RAB9ANPC1TDP1POLB
SCHEMBL266387 0.90 NPC1 (0.60) SMN1; SMN2RAB9ANPC1TDP1POLB
SCHEMBL266388 0.90 NPC1 (0.60) SMN1; SMN2RAB9ANPC1TDP1POLB
SCHEMBL266672 0.88 RAB9A (0.58) SMN1; SMN2RAB9ANPC1TDP1POLB
SCHEMBL266671 0.88 RAB9A (0.58) SMN1; SMN2RAB9ANPC1TDP1POLB
SCHEMBL268587 0.86 SLC34A2 (0.56) SMN1; SMN2RAB9ANPC1TDP1POLB

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 SMN1; SMN2 3975/4885RAB9A 883/4885NPC1 102/4885
US-20120115851-A1 COMPOUND INHIBITING IN VIVO PHOSPHORUS TRANSPORT AND MEDICINE CONTAINING THE SAME SLC34A1, SLC34A2, SLC20A2 SMN1; SMN2 4253/4885RAB9A 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.