SCHEMBL16736940

SCHEMBL16736940

COc1ccc(CCNC(=O)c2ccc(N3CCCCC3)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.65
▸ MAPT P10636 7/20 0.62
▸ RAB9A P51151 6/20 0.62
▸ ALDH1A1 P00352 5/20 0.62
▸ KMT2A Q03164 3/20 0.62
▸ NR4A1 P22736 1/20 0.62
▸ MCL1 Q07820 1/20 0.62
▸ HPGD P15428 1/20 0.60
▸ POLB P06746 2/20 0.59
▸ SMN1; SMN2 Q16637 5/20 0.59
▸ GFER P55789 1/20 0.56
▸ NPC1 O15118 2/20 0.56
▸ LMNA P02545 2/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ NAMPT P43490 1/20 0.55

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
SCHEMBL15607119 0.85 CYP2D6 (0.60) MAPTRAB9AALDH1A1KMT2ASMN1; SMN2
SCHEMBL15618832 0.84 RAB9A (0.77) KDM4EMAPTRAB9AALDH1A1KMT2A
SCHEMBL6705914 0.83 MCHR1 (0.72) KDM4ERAB9AALDH1A1KMT2ASMN1; SMN2
SCHEMBL3876341 0.81 KDM4E (0.76) KDM4EMAPTRAB9AKMT2APOLB
SCHEMBL5863404 0.81 LMNA (0.74) KDM4EMAPTALDH1A1KMT2APOLB
SCHEMBL16562233 0.80 HPGD (0.59) KDM4EMAPTRAB9AALDH1A1HPGD
SCHEMBL9313096 0.79 MAPT (0.71) KDM4EMAPTRAB9AALDH1A1KMT2A
SCHEMBL6570625 0.79 RAB9A (0.70) KDM4EMAPTRAB9AALDH1A1KMT2A
SCHEMBL3871649 0.79 KDM4E (0.55) KDM4EMAPTRAB9AALDH1A1POLB
SCHEMBL3868681 0.79 KDM4E (0.55) KDM4EMAPTRAB9AALDH1A1POLB

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-20170027890-A1 SELECTIVE INHIBITORS OF UNDIFFERENTIATED CELLS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2017-02-02 — — US disclosed
US-9456998-B2 Selective inhibitors of undifferentiated cells YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2016-10-04 — — US disclosed
US-20150148359-A1 SELECTIVE INHIBITORS OF UNDIFFERENTIATED CELLS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2015-05-28 — — US 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 (2 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-20170027890-A1 SELECTIVE INHIBITORS OF UNDIFFERENTIATED CELLS MCL1, MKI67, SCD KDM4E 2190/4885MAPT 4089/4885RAB9A 3123/4885
US-20150148359-A1 SELECTIVE INHIBITORS OF UNDIFFERENTIATED CELLS MCL1, MKI67, SCD KDM4E 2190/4885MAPT 4089/4885RAB9A 3123/4885

“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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