SCHEMBL2868852

SCHEMBL2868852

CCOc1ccc(Cc2ccc(Br)s2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.47
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.44
LMNA P02545 1/20 0.44
DHFR P00374 1/20 0.43
KDM4E B2RXH2 3/20 0.41
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
TSHR P16473 1/20 0.40
POLB P06746 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TP53 P04637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LTA4H P09960 1/20 0.38
MAPK1 P28482 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
SCHEMBL155145 0.80 TDP1 (0.40) ALDH1A1KDM4ETDP1TP53L3MBTL1
SCHEMBL2872167 0.80 NQO1 (0.47) NQO1MAPTALDH1A1GAASMN1; SMN2
SCHEMBL2488793 0.75 NQO1 (0.74) NQO1MAPTALDH1A1GAASMN1; SMN2
SCHEMBL2863695 0.74 PTPN1 (0.43) NQO1MAPTALDH1A1GAASMN1; SMN2
SCHEMBL2865016 0.74 PLK1 (0.42) NQO1MAPTALDH1A1GAASMN1; SMN2
SCHEMBL2864616 0.74 POLB (0.46) NQO1MAPTALDH1A1GAASMN1; SMN2
SCHEMBL24604285 0.72 L3MBTL1 (0.63) NQO1MAPTALDH1A1GAASMN1; SMN2
SCHEMBL2866272 0.71 POLB (0.46) MAPTALDH1A1GAASMN1; SMN2LMNA
SCHEMBL15201648 0.70 NQO1 (0.64) NQO1MAPTALDH1A1GAASMN1; SMN2
SCHEMBL31248365 0.70 KMT2A (0.64) SMN1; SMN2LMNAHPGDTSHRPOLB

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-7691898-B2 Phosphonic acid derivatives and the treating agents of diseases related hyperphosphatemia KOTOBUKI PHARMACEUTICAL CO., LTD. (JP) 2010-04-06 US disclosed
US-20080119441-A1 Phosphonic Acid Derivatives and the Treating Agents of Diseases Related Hyperphosphatemia KOTOBUKI PHARMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
CN-101072783-A Phosphonic acid derivative and therapeutic agent for disease in which high phosphate level in blood participates KOTOBUKI PHARMACEUTICAL CO LTD (JP) 2007-11-14 CN disclosed
EP-1813620-A1 PHOSPHONIC ACID DERIVATIVE AND THERAPEUTIC AGENT FOR DISEASE IN WHICH HIGH PHOSPHATE LEVEL IN BLOOD PARTICIPATES Kotobuki Pharmaceutical Co., Ltd. (JP) 2007-08-01 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 (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-20080119441-A1 Phosphonic Acid Derivatives and the Treating Agents of Diseases Related Hyperphosphatemia NR0B1, NR0B2, PTH1R NQO1 1945/4885MAPT 4759/4885ALDH1A1 3773/4885

“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.