SCHEMBL2484972

SCHEMBL2484972

CC(C)C(=O)n1c2ccccc2c2ccc(C(=O)OCc3ccccc3)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.48
▸ MAPT P10636 5/20 0.48
▸ NPC1 O15118 4/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ LMNA P02545 2/20 0.48
▸ TDP1 Q9NUW8 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ SLC6A2 P23975 1/20 0.47
▸ SLC6A3 Q01959 1/20 0.47
▸ CNR2 P34972 1/20 0.46
▸ HPGD P15428 1/20 0.45
▸ S1PR3 Q99500 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ JMJD6 Q6NYC1 1/20 0.42
▸ POLB P06746 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ AKR1B1 P15121 1/20 0.40

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
SCHEMBL2483599 0.81 KDM4E (0.54) MAPTALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL26040850 0.77 KDM4E (0.63) RAB9AMAPTNPC1ALDH1A1SMN1; SMN2
SCHEMBL14383869 0.76 CNR2 (0.54) RAB9AMAPTNPC1ALDH1A1SMN1; SMN2
SCHEMBL21888553 0.74 RAB9A (0.53) RAB9AMAPTNPC1ALDH1A1SMN1; SMN2
SCHEMBL19818735 0.73 PTGS2 (0.46) MAPTALDH1A1HPGDKDM4E
SCHEMBL23222980 0.72 TDP1 (0.57) RAB9AMAPTNPC1ALDH1A1SMN1; SMN2
SCHEMBL21082270 0.72 ALDH1A1 (0.44) RAB9AMAPTNPC1ALDH1A1LMNA
SCHEMBL2530349 0.71 ALDH1A1 (0.50) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL21889132 0.70 CNR2 (0.59) RAB9AMAPTNPC1ALDH1A1SMN1; SMN2
SCHEMBL312287 0.70 KMT2A (0.92) RAB9AMAPTNPC1ALDH1A1SMN1; SMN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076348-B2 Acylguanidine derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-12-13 — — US disclosed
EP-1923387-B1 ACYLGUANIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2011-10-19 — — EP disclosed
US-20100324017-A1 ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-12-23 — — US disclosed
US-20100168096-A1 ACYLGUANIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-07-01 — — US disclosed
EP-2119704-A1 ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2009-11-18 — — EP disclosed
EP-1923387-A1 ACYLGUANIDINE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2008-05-21 — — 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-20100324017-A1 ACYLGUANIDINE DERIVATIVE HTR5A, GRM5, HTR1E RAB9A 396/4885MAPT 348/4885NPC1 1574/4885
US-20100168096-A1 ACYLGUANIDINE DERIVATIVE OR SALT THEREOF HTR2B, HTR7, HTR3B RAB9A 478/4885MAPT 4231/4885NPC1 1655/4885

“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.

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