SCHEMBL21874152

SCHEMBL21874152

O=C(OCc1ccccc1)n1ncc2c([N+](=O)[O-])cccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 3/20 0.41
KMT2A Q03164 6/20 0.40
ALDH1A1 P00352 2/20 0.40
CREBBP Q92793 1/20 0.39
MEN1 O00255 5/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MITF O75030 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
CCR6 P51684 1/20 0.39
GAA P10253 1/20 0.38
CCR2 P41597 1/20 0.38
ATM Q13315 1/20 0.37
P2RX4 Q99571 1/20 0.37
CNR1 P21554 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL1863124 0.81 CREBBP (0.42) ALDH1A1CREBBPNPC1RAB9AHTT
SCHEMBL21874382 0.81 HDAC1 (0.41) KMT2AALDH1A1MEN1NPC1RAB9A
SCHEMBL1856772 0.80 CREBBP (0.47) KMT2AALDH1A1CREBBPMEN1NPC1
SCHEMBL18953636 0.80 CREBBP (0.48) ALDH1A1CREBBPNPC1RAB9AHTT
SCHEMBL18953635 0.80 CREBBP (0.48) ALDH1A1CREBBPNPC1RAB9AHTT
SCHEMBL6066037 0.78 CREBBP (0.45) KMT2AALDH1A1CREBBPMEN1NPC1
SCHEMBL2481191 0.77 CREBBP (0.44) ALDH1A1CREBBPNPC1RAB9AHTT
SCHEMBL29510797 0.77 CREBBP (0.44) ALDH1A1CREBBPNPC1RAB9AHTT
SCHEMBL1100436 0.76 CREBBP (0.64) KMT2AALDH1A1CREBBPMEN1HTT
SCHEMBL7167380 0.76 ASAH1 (0.52) KMT2AALDH1A1MEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11274100-B2 EP300/CREBBP inhibitor DAIICHI SANKYO COMPANY, LIMITED (JP) 2022-03-15 US disclosed
US-20210171520-A1 EP300/CREBBP INHIBITOR DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-06-10 US disclosed
US-20210171520-A1 EP300/CREBBP INHIBITOR DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-06-10 US disclosed
EP-3643703-A1 EP300/CREBBP INHIBITOR Daiichi Sankyo Co., Ltd. (JP) 2020-04-29 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 (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-11274100-B2 EP300/CREBBP inhibitor EP300, CREBBP, CREB1 PIN1 4473/4885KMT2A 124/4885ALDH1A1 1619/4885
US-20210171520-A1 EP300/CREBBP INHIBITOR EP300, CREBBP, CREB1 PIN1 4473/4885KMT2A 124/4885ALDH1A1 1619/4885

“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.