SCHEMBL17690489

SCHEMBL17690489

COC(=O)C1CCC(CNCl)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TDP1 Q9NUW8 1/20 0.36
CHRNB2 P17787 2/20 0.36
CHRNA4 P43681 2/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
HPGD P15428 1/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
GNRHR P30968 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
SCHEMBL8249309 1.00 KMT2A (0.41) KMT2AMEN1TP53ALDH1A1GAA
SCHEMBL8256660 1.00 KMT2A (0.41) KMT2AMEN1TP53ALDH1A1GAA
SCHEMBL9640173 0.82 KMT2A (0.42) KMT2AMEN1TP53ALDH1A1GAA
SCHEMBL14175234 0.82 KMT2A (0.42) KMT2AMEN1TP53ALDH1A1GAA
Hydrochloric Acid SCHEMBL9640179 0.81 KMT2A (0.41) KMT2AMEN1TP53ALDH1A1GAA
SCHEMBL3577321 0.81 SAT1 (0.46) KMT2AMEN1TP53ALDH1A1GAA
Hydrochloric Acid SCHEMBL9640166 0.81 KMT2A (0.41) KMT2AMEN1TP53ALDH1A1GAA
SCHEMBL3577318 0.81 SAT1 (0.46) KMT2AMEN1TP53ALDH1A1GAA
SCHEMBL19625922 0.80 TP53 (0.43) KMT2AMEN1TP53ALDH1A1GAA
SCHEMBL28953068 0.80 TP53 (0.43) KMT2AMEN1TP53ALDH1A1GAA

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-9593081-B2 4-alkynyl imidazole derivative and medicine comprising same as active ingredient KAKEN PHARMACEUTICAL CO., LTD. (JP) 2017-03-14 US disclosed
US-20160130232-A1 4-ALKYNYL IMIDAZOLE DERIVATIVE AND MEDICINE COMPRISING SAME AS ACTIVE INGREDIENT KAKEN PHARMACEUTICAL CO., LTD. (JP) 2016-05-12 US disclosed
EP-3009426-A1 4-ALKYNYL IMIDAZOLE DERIVATIVE AND MEDICINE COMPRISING SAME AS ACTIVE INGREDIENT Kaken Pharmaceutical Co., Ltd. (JP) 2016-04-20 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-20160130232-A1 4-ALKYNYL IMIDAZOLE DERIVATIVE AND MEDICINE COMPRISING SAME AS ACTIVE INGREDIENT PTGER4, IL4, PTGER1 KMT2A 3136/4885MEN1 4674/4885TP53 3804/4885

“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.