SCHEMBL273398

SCHEMBL273398

Cc1ccc(/C=N/NC(=O)c2cc(Br)ccc2NC(=O)c2ccc(CSc3ccncc3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
GAA P10253 1/20 0.53
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 4/20 0.50
POLB P06746 3/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
TDP1 Q9NUW8 1/20 0.50
HTT P42858 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
LMNA P02545 3/20 0.47
PKM P14618 3/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 2/20 0.47
HPGD P15428 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL267602 1.00 MAPT (0.53) MAPTGAAALDH1A1KDM4EPOLB
SCHEMBL273430 0.92 MAPT (0.49) MAPTGAAALDH1A1KDM4EPOLB
SCHEMBL266019 0.92 MAPT (0.49) MAPTGAAALDH1A1KDM4EPOLB
SCHEMBL273396 0.92 NPC1 (0.51) MAPTGAAALDH1A1KDM4EPOLB
SCHEMBL269020 0.92 NPC1 (0.51) MAPTGAAALDH1A1KDM4EPOLB
SCHEMBL274090 0.91 RAB9A (0.54) MAPTGAAALDH1A1KDM4EPOLB
SCHEMBL267884 0.91 RAB9A (0.54) MAPTGAAALDH1A1KDM4EPOLB
SCHEMBL273530 0.91 LMNA (0.51) MAPTGAAALDH1A1KDM4EPOLB
SCHEMBL266695 0.91 LMNA (0.51) MAPTGAAALDH1A1KDM4EPOLB
SCHEMBL266536 0.88 L3MBTL1 (0.65) MAPTALDH1A1KDM4EPOLBL3MBTL1

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 MAPT 4648/4885GAA 1640/4885ALDH1A1 2872/4885

“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.