SCHEMBL2215754

SCHEMBL2215754

Cc1ccc(CN2C=CN(Cc3ccccc3)C2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.61
POLB P06746 2/20 0.61
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
ACHE P22303 2/20 0.47
BACE1 P56817 2/20 0.47
BCHE P06276 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.45
TP53 P04637 2/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPK1 P28482 3/20 0.44
RGS4 P49798 1/20 0.44
RGS8 P57771 1/20 0.44
HTT P42858 3/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
KDM4E B2RXH2 1/20 0.43
THRB P10828 1/20 0.43
NPC1 O15118 1/20 0.42

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
Hydrochloric Acid SCHEMBL2216990 0.98 LMNA (0.59) LMNAPOLBMEN1KMT2AACHE
SCHEMBL1044027 0.88 SIGMAR1 (0.52) LMNAPOLBALDH1A1KDM4ESIGMAR1
Bromide SCHEMBL1046639 0.86 SIGMAR1 (0.50) LMNAPOLBALDH1A1KDM4ESIGMAR1
Hydrochloric Acid SCHEMBL9343069 0.86 SIGMAR1 (0.50) LMNAPOLBALDH1A1KDM4ESIGMAR1
SCHEMBL25804057 0.85 ALDH1A1 (0.52) LMNAPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL28283766 0.84 LMNA (0.49) LMNAPOLBMEN1KMT2AACHE
SCHEMBL3457652 0.82 SIGMAR1 (0.43) LMNAPOLBMEN1KMT2AACHE
Acetic Acid SCHEMBL28332665 0.81 CYP2D6 (0.49) LMNAPOLBKMT2AACHESMN1; SMN2
SCHEMBL12220164 0.81 BCHE (0.47) LMNAMEN1KMT2AACHEBACE1
SCHEMBL16638702 0.81 TP53 (0.44) LMNAPOLBMEN1KMT2ASMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9072729-B2 Method for treating fibrosis and cancer with imidazolium and imidazolinium compounds AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-07-07 US claimed
US-20110178040-A1 METHOD FOR TREATING FIBROSIS AND CANCER WITH IMIDAZOLIUM AND IMIDAZOLINIUM COMPOUNDS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2011-07-21 US claimed
CN-101983057-A Methods of treating fibrosis and cancer with imidazole and imidazoline compounds AGENCY SCIENCE TECH & RES 2011-03-02 CN claimed
US-20160331727-A9 METHOD FOR TREATING FIBROSIS AND CANCER WITH IMIDAZOLIUM AND IMIDAZOLINIUM COMPOUNDS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2016-11-17 US disclosed
US-20160000757-A1 METHOD FOR TREATING FIBROSIS AND CANCER WITH IMIDAZOLIUM AND IMIDAZOLINIUM COMPOUNDS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2016-01-07 US disclosed
US-9072729-B2 Method for treating fibrosis and cancer with imidazolium and imidazolinium compounds AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-07-07 US disclosed
US-20110178040-A1 METHOD FOR TREATING FIBROSIS AND CANCER WITH IMIDAZOLIUM AND IMIDAZOLINIUM COMPOUNDS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2011-07-21 US disclosed
CN-101983057-A Methods of treating fibrosis and cancer with imidazole and imidazoline compounds AGENCY SCIENCE TECH & RES 2011-03-02 CN 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 (3 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-20110178040-A1 METHOD FOR TREATING FIBROSIS AND CANCER WITH IMIDAZOLIUM AND IMIDAZOLINIUM COMPOUNDS MMP1, MYLK, MMP8 LMNA 2053/4885POLB 4512/4885MEN1 2799/4885
US-20160331727-A9 METHOD FOR TREATING FIBROSIS AND CANCER WITH IMIDAZOLIUM AND IMIDAZOLINIUM COMPOUNDS MMP1, MYLK, MMP8 LMNA 2053/4885POLB 4512/4885MEN1 2799/4885
US-20160000757-A1 METHOD FOR TREATING FIBROSIS AND CANCER WITH IMIDAZOLIUM AND IMIDAZOLINIUM COMPOUNDS MMP1, MYLK, MMP8 LMNA 2053/4885POLB 4512/4885MEN1 2799/4885

“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.