SCHEMBL265191

SCHEMBL265191

Cc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccncc2)cc1C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 5/20 0.71
NPC1 O15118 5/20 0.71
RAB9A P51151 5/20 0.71
MAPT P10636 6/20 0.60
CYP2D6 P10635 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
KDM4E B2RXH2 4/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
HPGD P15428 2/20 0.56
ALOX12 P18054 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
ALDH1A1 P00352 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
LMNA P02545 1/20 0.52
OPRK1 P41145 1/20 0.51

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
SCHEMBL265192 1.00 PKM (0.71) PKMNPC1RAB9AMAPTCYP2D6
Hydrochloric Acid SCHEMBL265638 0.99 PKM (0.69) PKMNPC1RAB9AMAPTCYP2D6
Hydrochloric Acid SCHEMBL265639 0.99 PKM (0.69) PKMNPC1RAB9AMAPTCYP2D6
SCHEMBL267497 0.89 RAB9A (0.61) PKMNPC1RAB9AMAPTKDM4E
SCHEMBL267496 0.89 RAB9A (0.61) PKMNPC1RAB9AMAPTKDM4E
SCHEMBL266299 0.88 PKM (0.79) PKMNPC1RAB9AMAPTCYP2D6
SCHEMBL266300 0.88 PKM (0.79) PKMNPC1RAB9AMAPTCYP2D6
Hydrochloric Acid SCHEMBL265645 0.88 RAB9A (0.60) PKMNPC1RAB9AMAPTKDM4E
Hydrochloric Acid SCHEMBL265646 0.88 RAB9A (0.60) PKMNPC1RAB9AMAPTKDM4E
SCHEMBL266606 0.87 MAPT (0.62) PKMNPC1RAB9AMAPTCYP2D6

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 8 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-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
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 PKM 1697/4885NPC1 102/4885RAB9A 883/4885
US-20120115851-A1 COMPOUND INHIBITING IN VIVO PHOSPHORUS TRANSPORT AND MEDICINE CONTAINING THE SAME SLC34A1, SLC34A2, SLC20A2 PKM 1916/4885NPC1 115/4885RAB9A 1362/4885

“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.