SCHEMBL14303304

SCHEMBL14303304

CNCCc1cc(=O)oc2c3c4c(cc12)CCCN4CCC3

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 12/20 0.60
▸ ALDH1A1 P00352 12/20 0.60
▸ MEN1 O00255 11/20 0.60
▸ KDM4E B2RXH2 9/20 0.60
▸ GAA P10253 8/20 0.60
▸ USP2 O75604 6/20 0.60
▸ MAPT P10636 6/20 0.60
▸ HPGD P15428 6/20 0.60
▸ LMNA P02545 5/20 0.60
▸ HSD17B10 Q99714 4/20 0.60
▸ CASP1 P29466 4/20 0.60
▸ CASP7 P55210 4/20 0.60
▸ GLA P06280 3/20 0.60
▸ ATM Q13315 2/20 0.60
▸ L3MBTL1 Q9Y468 2/20 0.60
▸ TDP1 Q9NUW8 3/20 0.57
▸ HTT P42858 2/20 0.57
▸ KEAP1 Q14145 1/20 0.57
▸ NFE2L2 Q16236 1/20 0.57
▸ GPR35 Q9HC97 1/20 0.57

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
SCHEMBL24623305 0.87 ALDH1A1 (0.64) KMT2AALDH1A1MEN1KDM4EGAA
SCHEMBL22632115 0.87 ALDH1A1 (0.56) KMT2AALDH1A1MEN1KDM4EGAA
SCHEMBL22632114 0.87 KMT2A (0.55) KMT2AALDH1A1MEN1KDM4EGAA
SCHEMBL903151 0.86 ALDH1A1 (0.68) KMT2AALDH1A1MEN1KDM4EGAA
SCHEMBL24623962 0.86 KMT2A (0.60) KMT2AALDH1A1MEN1KDM4EGAA
SCHEMBL3202594 0.85 KMT2A (0.61) KMT2AALDH1A1MEN1KDM4EGAA
SCHEMBL24623242 0.85 ALDH1A1 (0.53) KMT2AALDH1A1MEN1KDM4EGAA
Hydrochloric Acid SCHEMBL31718750 0.84 KMT2A (0.60) KMT2AALDH1A1MEN1KDM4EGAA
SCHEMBL1213320 0.82 KMT2A (0.63) KMT2AALDH1A1MEN1KDM4EGAA
SCHEMBL1212238 0.82 ALDH1A1 (0.63) KMT2AALDH1A1MEN1KDM4EGAA

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-20130190497-A1 FLUORESCENT SUBSTRATES FOR MONOAMINE TRANSPORTERS AS OPTICAL FALSE NEUROTRANSMITTERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2013-07-25 — — US disclosed
WO-2008013997-A2 FLUORESCENT SUBSTRATES FOR MONOAMINE TRANSPORTERS AS OPTICAL FALSE NEUROTRANSMITTERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2008-01-31 — — 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-20130190497-A1 FLUORESCENT SUBSTRATES FOR MONOAMINE TRANSPORTERS AS OPTICAL FALSE NEUROTRANSMITTERS SLC18A2, SLC6A2, SLC18A3 KMT2A 2665/4885ALDH1A1 904/4885MEN1 3095/4885

“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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