SCHEMBL3316339

SCHEMBL3316339

NCCNC(=O)c1c[c]ccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.51
CYP1A2 P05177 1/20 0.51
TSHR P16473 1/20 0.51
NFKB1 P19838 1/20 0.51
MEN1 O00255 1/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
KMT2A Q03164 1/20 0.50
TERT O14746 2/20 0.46
KDM4E B2RXH2 1/20 0.46
SPHK2 Q9NRA0 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
MC4R P32245 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
EPHX2 P34913 1/20 0.39
PRSS1 P07477 1/20 0.39
CTSG P08311 1/20 0.39

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
SCHEMBL29053200 0.88 HDAC1 (0.48) SMN1; SMN2NPC1RAB9A
SCHEMBL3313893 0.86 GAA (0.41) MAOBCYP1A2TSHRNFKB1MEN1
SCHEMBL29230045 0.85 SMN1; SMN2 (0.55) MAOBCYP1A2TSHRNFKB1KMT2A
SCHEMBL1415854 0.85 POLB (0.46) KMT2AKDM4ESPHK2SMN1; SMN2LMNA
SCHEMBL29104753 0.84 SMN1; SMN2 (0.57) MAOBCYP1A2TSHRNFKB1KMT2A
SCHEMBL1490709 0.83 L3MBTL1 (0.55) TSHRKMT2AKDM4ESMN1; SMN2LMNA
SCHEMBL8010684 0.81 EPHX2 (0.47) SMN1; SMN2LMNAPOLBNPC1RAB9A
SCHEMBL4318844 0.81 SMN1; SMN2 (0.64) TSHRSMN1; SMN2NPC1RAB9AGAA
SCHEMBL1416098 0.81 HPGD (0.59) CYP1A2MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL10716721 0.80 KDM4E (0.48) CYP1A2BLMPMP22KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210186905-A1 ENHANCING T-CELL FUNCTION AND TREATING A T-CELL DYSFUNCTIONAL DISORDER WITH A COMBINATION OF AN LSD INHIBITOR AND A PD-1 BINDING ANTAGONIST EPIAXIS THERAPEUTICS PTY LTD (AU) 2021-06-24 US claimed
US-20210121496-A1 METHODS AND COMPOSITIONS FOR MODULATING CANCER STEM CELLS EpiAxis Therapeutics Pty Ltd. (AU) 2021-04-29 US claimed
US-20200289437-A1 Compositions for Modulating Cancer Stem Cells and Uses Therefor EpiAxis Therapeutics Pty Ltd. (AU) 2020-09-17 US claimed
US-7652044-B2 P-38 inhibitors NOVARTIS A.G. (CH) 2010-01-26 US claimed
CN-1829513-A 5-membered heterocycle-based p-38 inhibitors NOVARTIS AG (CH) 2006-09-06 CN claimed
US-20040254236-A1 P-38 inhibitors NOVARTIS AG (CH) 2004-12-16 US claimed
US-20210186905-A1 ENHANCING T-CELL FUNCTION AND TREATING A T-CELL DYSFUNCTIONAL DISORDER WITH A COMBINATION OF AN LSD INHIBITOR AND A PD-1 BINDING ANTAGONIST EPIAXIS THERAPEUTICS PTY LTD (AU) 2021-06-24 US disclosed
US-20210121496-A1 METHODS AND COMPOSITIONS FOR MODULATING CANCER STEM CELLS EpiAxis Therapeutics Pty Ltd. (AU) 2021-04-29 US disclosed
US-20200289437-A1 Compositions for Modulating Cancer Stem Cells and Uses Therefor EpiAxis Therapeutics Pty Ltd. (AU) 2020-09-17 US disclosed
CN-110312522-A - 1 inhibitor of lysine specific histone demethylation enzyme and application thereof 堪培拉大学 2019-10-08 CN disclosed
US-20190262377-A1 METHODS AND COMPOSITIONS FOR MODULATING CANCER STEM CELLS EpiAxis Therapeutics Pty Ltd. (AU) 2019-08-29 US disclosed
US-10220053-B2 Methods and compositions for modulating cancer stem cells UNIVERSITY OF CANBERRA (AU) 2019-03-05 US disclosed
US-20170266140-A1 Compositions for Modulating Cancer Stem Cells and Uses Therefor EpiAxis Therapeutics Pty Ltd. (AU) 2017-09-21 US disclosed
CN-107106517-A Compositions for modulating cancer stem cells and uses thereof 堪培拉大学 2017-08-29 CN disclosed
US-20160143938-A1 Methods and compositions for modulating cancer stem cells EpiAxis Therapeutics Pty Ltd. (AU) 2016-05-26 US disclosed
US-7652044-B2 P-38 inhibitors NOVARTIS A.G. (CH) 2010-01-26 US disclosed
US-20100004298-A1 P-38 INHIBITORS DONG QING 2010-01-07 US disclosed
EP-1635824-B1 5-MEMBERED HETEROCYCLE-BASED P-38 INHIBITORS NOVARTIS AG (CH) 2009-08-19 EP disclosed
CN-1829513-A 5-membered heterocycle-based p-38 inhibitors NOVARTIS AG (CH) 2006-09-06 CN disclosed
US-20040254236-A1 P-38 inhibitors NOVARTIS AG (CH) 2004-12-16 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 (9 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-20170266140-A1 Compositions for Modulating Cancer Stem Cells and Uses Therefor PRKCQ, PRKCG, PRKCH MAOB 2259/4885CYP1A2 4527/4885TSHR 4333/4885
US-20190262377-A1 METHODS AND COMPOSITIONS FOR MODULATING CANCER STEM CELLS BMI1, KDM1B, KDM6B MAOB 2932/4885CYP1A2 4567/4885TSHR 4190/4885
US-20160143938-A1 Methods and compositions for modulating cancer stem cells BMI1, KDM1B, KDM6B MAOB 2932/4885CYP1A2 4567/4885TSHR 4190/4885
US-10220053-B2 Methods and compositions for modulating cancer stem cells BMI1, KDM1B, KDM6B MAOB 2932/4885CYP1A2 4567/4885TSHR 4190/4885
US-20100004298-A1 P-38 INHIBITORS MAPK8, MAPK1, MAP3K8 MAOB 3703/4885CYP1A2 1800/4885TSHR 4297/4885
US-20040254236-A1 P-38 inhibitors MAPK8, MAP3K8, MAPK1 MAOB 3605/4885CYP1A2 2097/4885TSHR 4490/4885
US-20210186905-A1 ENHANCING T-CELL FUNCTION AND TREATING A T-CELL DYSFUNCTIONAL DISORDER WITH A COMBINATION OF AN LSD INHIBITOR AND A PD-1 BINDING ANTAGONIST PDCD1, CD274, PDCD1LG2 MAOB 36/4885CYP1A2 1176/4885TSHR 1775/4885
US-20200289437-A1 Compositions for Modulating Cancer Stem Cells and Uses Therefor PRKCQ, PRKCG, PRKCH MAOB 2259/4885CYP1A2 4527/4885TSHR 4333/4885
US-20210121496-A1 METHODS AND COMPOSITIONS FOR MODULATING CANCER STEM CELLS BMI1, KDM1B, KDM6B MAOB 2932/4885CYP1A2 4567/4885TSHR 4190/4885

“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.