SCHEMBL3110747

SCHEMBL3110747

OC1CN(Cc2ccccc2Cl)C1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.63
HTT P42858 2/20 0.63
SIGMAR1 Q99720 1/20 0.56
CYP2A13 Q16696 3/20 0.54
CXCR4 P61073 5/20 0.54
ALDH1A1 P00352 5/20 0.53
PLA2G1B P04054 1/20 0.53
RAB9A P51151 1/20 0.53
ATG4B Q9Y4P1 1/20 0.53
ATM Q13315 1/20 0.50
FAAH O00519 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL18360630 0.86 KDM4E (0.60) KDM4EHTTSIGMAR1CYP2A13CXCR4
SCHEMBL15081986 0.82 KDM4E (0.52) KDM4EHTTSIGMAR1CYP2A13CXCR4
SCHEMBL8551996 0.82 CXCR4 (0.69) KDM4EHTTSIGMAR1CYP2A13CXCR4
Hydrochloric Acid SCHEMBL3105464 0.80 KDM4E (0.61) KDM4EHTTSIGMAR1CYP2A13CXCR4
SCHEMBL18360700 0.79 KDM4E (0.69) KDM4EHTTSIGMAR1CYP2A13CXCR4
SCHEMBL11360607 0.78 SIGMAR1 (0.85) KDM4EHTTSIGMAR1CYP2A13CXCR4
SCHEMBL7372983 0.77 KDM4E (1.00) KDM4EHTTSIGMAR1CYP2A13CXCR4
SCHEMBL20557039 0.77 KDM4E (0.58) KDM4EHTTSIGMAR1CYP2A13CXCR4
Phosphoric Acid SCHEMBL3110216 0.77 KDM4E (0.54) KDM4EHTTSIGMAR1CYP2A13CXCR4
Sulfuric Acid SCHEMBL3102231 0.77 KDM4E (0.54) KDM4EHTTSIGMAR1CYP2A13CXCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100274003-A1 ACID ADDITION SALTS OF SYNTHETIC INTERMEDIATES FOR CARBAPENEM ANTIBIOTICS AND PROCESSES FOR PREPARING THE SAME Kukje Pharm Ind co. Ltd (KR) 2010-10-28 US disclosed
EP-2188287-A2 ACID ADDITION SALTS OF SYNTHETIC INTERMEDIATES FOR CARBAPENEM ANTIBIOTICS AND PROCESSES FOR PREPARING THE SAME Kukje Pharm. Ind. Co., Ltd. (KR) 2010-05-26 EP disclosed
WO-2009038328-A2 ACID ADDITION SALTS OF SYNTHETIC INTERMEDIATES FOR CARBAPENEM ANTIBIOTICS AND PROCESSES FOR PREPARING THE SAME KUKJE PHARM. IND. CO., LTD. (KR) 2009-03-26 WO 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-20100274003-A1 ACID ADDITION SALTS OF SYNTHETIC INTERMEDIATES FOR CARBAPENEM ANTIBIOTICS AND PROCESSES FOR PREPARING THE SAME SLC7A5, SI, ADSL KDM4E 871/4885HTT 4604/4885SIGMAR1 3931/4885

“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.