SCHEMBL6134460

SCHEMBL6134460

C[C@H](OCc1ccccc1)[C@@H](O)CCc1cccc2ccc(Cl)cc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 8/20 0.37
MTNR1B P49286 7/20 0.37
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 2/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
TP53 P04637 1/20 0.35
AKR1B1 P15121 1/20 0.35
RCE1 Q9Y256 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
NQO2 P16083 1/20 0.35
CTSL P07711 2/20 0.35
CTSB P07858 2/20 0.35
CTSS P25774 2/20 0.35
CTSK P43235 1/20 0.35

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
SCHEMBL6134908 0.91 ATM (0.36) ATML3MBTL1KMT2AAKR1B1RCE1
SCHEMBL6173917 0.87 KMT2A (0.46) KMT2AAKR1B1RCE1SIGMAR1
SCHEMBL6170362 0.87 KMT2A (0.46) KMT2AAKR1B1RCE1SIGMAR1
SCHEMBL6173727 0.87 KMT2A (0.46) KMT2AAKR1B1RCE1SIGMAR1
SCHEMBL6170921 0.80 SIGMAR1 (0.49) KMT2AAKR1B1RCE1SIGMAR1
SCHEMBL6173227 0.80 SLC6A2 (0.49) RCE1LMNAHTT
SCHEMBL6171925 0.79 SLC6A2 (0.39) ATML3MBTL1KMT2ARCE1MEN1
SCHEMBL6172807 0.78 CASR (0.46) RCE1SIGMAR1CYP1A2
SCHEMBL6173226 0.78 RCE1 (0.48) KMT2ARCE1MEN1LMNACYP1A2
SCHEMBL6133576 0.76 ADA (0.60)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6908940-B2 Imidazole compounds and their use as adenosine deaminase inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-06-21 US disclosed
US-20040097571-A1 Imidazole compounds and their use as adenosine deaminase inhibitors ASTELLAS PHARMA INC. (JP) 2004-05-20 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-20040097571-A1 Imidazole compounds and their use as adenosine deaminase inhibitors ADA, AMPD2, AMPD1 MTNR1A 1285/4885MTNR1B 1889/4885ATM 955/4885

“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.