SCHEMBL3503679

SCHEMBL3503679

CN(C)c1ccc2c3c(cccc13)C(=O)N(CCOCCO)C2=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 10/20 0.60
▸ KMT2A Q03164 10/20 0.60
▸ POLB P06746 4/20 0.60
▸ USP2 O75604 4/20 0.52
▸ ALDH1A1 P00352 6/20 0.46
▸ MAPT P10636 5/20 0.46
▸ CASP1 P29466 2/20 0.46
▸ CASP7 P55210 2/20 0.46
▸ HBB P68871 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ CRHBP P24387 1/20 0.46
▸ BRCA1 P38398 1/20 0.46
▸ CRHR2 Q13324 1/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ LMNA P02545 3/20 0.46
▸ PABPC1 P11940 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ AVPR1A P37288 1/20 0.46

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
SCHEMBL3503153 0.89 MEN1 (0.61) MEN1KMT2APOLBUSP2ALDH1A1
SCHEMBL3503912 0.87 MEN1 (0.69) MEN1KMT2APOLBUSP2ALDH1A1
SCHEMBL3503519 0.85 MEN1 (0.66) MEN1KMT2APOLBUSP2ALDH1A1
SCHEMBL23373805 0.84 MEN1 (0.64) MEN1KMT2APOLBUSP2ALDH1A1
SCHEMBL16085240 0.81 KEAP1 (0.60) MEN1KMT2APOLBUSP2ALDH1A1
SCHEMBL10262050 0.81 LMNA (0.59) MEN1KMT2APOLBUSP2ALDH1A1
SCHEMBL10262375 0.81 CYP1B1 (0.60) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL3504382 0.80 MEN1 (0.69) MEN1KMT2APOLBUSP2ALDH1A1
SCHEMBL31094030 0.80 MEN1 (0.69) MEN1KMT2APOLBUSP2ALDH1A1
SCHEMBL26053794 0.80 MEN1 (0.69) MEN1KMT2APOLBUSP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440835-B2 Environmentally sensitive fluorophores MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-05-14 — — US disclosed
US-8440835-B2 Environmentally sensitive fluorophores MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-05-14 — — US disclosed
US-8440835-B2 Environmentally sensitive fluorophores MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-05-14 — — US disclosed
US-20100168428-A1 ENVIRONMENTALLY SENSITIVE FLUOROPHORES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-07-01 — — US disclosed
US-20100168428-A1 ENVIRONMENTALLY SENSITIVE FLUOROPHORES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-07-01 — — US disclosed
US-20100168428-A1 ENVIRONMENTALLY SENSITIVE FLUOROPHORES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-07-01 — — US disclosed
WO-2008106104-A2 ENVIRONMENTALLY SENSITIVE FLUOROPHORES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-09-04 — — 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-20100168428-A1 ENVIRONMENTALLY SENSITIVE FLUOROPHORES PTMS, IK, PHAX MEN1 3976/4885KMT2A 4753/4885POLB 4198/4885

“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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