SCHEMBL20183591

SCHEMBL20183591

CCn1c(=O)cc(C2CCC(O)CC2)c2cc(C(=O)N(C)c3ccc(Cl)cc3)ccc21

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GLA P06280 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
KDM4E B2RXH2 2/20 0.37
TP53 P04637 2/20 0.36
POLB P06746 1/20 0.36
HSD17B10 Q99714 2/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
LMNA P02545 1/20 0.35
KCNH2 Q12809 2/20 0.35
GPBAR1 Q8TDU6 1/20 0.35
ENPP2 Q13822 1/20 0.34
ITK Q08881 2/20 0.34
INSR P06213 1/20 0.34
TXK P42681 1/20 0.34
BRD4 O60885 1/20 0.33

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
SCHEMBL20183840 0.92 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2GLAMAPTHTT
SCHEMBL20354309 0.90 CYP3A4 (0.39) ALDH1A1SMN1; SMN2GLAMAPTHTT
SCHEMBL20183811 0.89 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2MAPTKDM4EHSD17B10
SCHEMBL20354308 0.89 KDM4E (0.36) ALDH1A1GLAMAPTKDM4ETP53
SCHEMBL20183593 0.88 BRD4 (0.43) ALDH1A1SMN1; SMN2GLAMAPTKDM4E
SCHEMBL20183886 0.88 CCR1 (0.37) ALDH1A1SMN1; SMN2GLAMAPTHTT
SCHEMBL20183551 0.87 KDM4E (0.38) ALDH1A1MAPTHTTKDM4ETP53
SCHEMBL20183528 0.87 KDM4E (0.48) ALDH1A1SMN1; SMN2MAPTKDM4EPOLB
SCHEMBL20183588 0.86 ITK (0.38) ALDH1A1SMN1; SMN2GLAMAPTHTT
SCHEMBL20806260 0.86 KDM4E (0.38) ALDH1A1MAPTHTTKDM4ETP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108137505-B Nitrogen-containing heterocyclic compound 富士胶片株式会社 2021-07-06 CN disclosed
US-10987349-B2 Antitumor agent and bromodomain inhibitor FUJIFILM CORPORATION (JP) 2021-04-27 US disclosed
US-10987349-B2 Antitumor agent and bromodomain inhibitor FUJIFILM CORPORATION (JP) 2021-04-27 US disclosed
EP-3563851-B1 ANTITUMOR AGENT AND BROMODOMAIN INHIBITOR FUJIFILM CORP (JP) 2021-04-21 EP disclosed
EP-3327004-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND FUJIFILM CORP (JP) 2020-11-04 EP disclosed
US-10696637-B2 Nitrogen-containing heterocyclic compound FUJIFILM CORPORATION (JP) 2020-06-30 US disclosed
US-10696637-B2 Nitrogen-containing heterocyclic compound FUJIFILM CORPORATION (JP) 2020-06-30 US disclosed
US-10633343-B2 2020-04-28 US disclosed
US-10633343-B2 2020-04-28 US disclosed
CN-110430878-A Antitumor agent and bromine structural domain inhibitor FUJIFILM CORP 2019-11-08 CN disclosed
EP-3563851-A1 ANTITUMOR AGENT AND BROMODOMAIN INHIBITOR FUJIFILM Corporation (JP) 2019-11-06 EP disclosed
US-20190314360-A1 ANTITUMOR AGENT AND BROMODOMAIN INHIBITOR FUJIFILM CORPORATION (JP) 2019-10-17 US disclosed
US-20190314360-A1 ANTITUMOR AGENT AND BROMODOMAIN INHIBITOR FUJIFILM CORPORATION (JP) 2019-10-17 US disclosed
US-20190077761-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND FUJIFILM CORPORATION (JP) 2019-03-14 US disclosed
US-20190077761-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND FUJIFILM CORPORATION (JP) 2019-03-14 US disclosed
EP-3327004-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND Fujifilm Corporation (JP) 2018-05-30 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 (5 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-10987349-B2 Antitumor agent and bromodomain inhibitor BRD4, BRD1, BRD3 ALDH1A1 3243/4885SMN1; SMN2 4557/4885GLA 1684/4885
US-10696637-B2 Nitrogen-containing heterocyclic compound CXCL10, CCL5, CXCR3 ALDH1A1 3095/4885SMN1; SMN2 3085/4885GLA 4496/4885
US-20190314360-A1 ANTITUMOR AGENT AND BROMODOMAIN INHIBITOR BRD4, BRD1, BRD3 ALDH1A1 3243/4885SMN1; SMN2 4557/4885GLA 1684/4885
US-20190077761-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CXCL10, CCL5, CXCR3 ALDH1A1 3095/4885SMN1; SMN2 3085/4885GLA 4496/4885
US-10633343-B2 CXCL10, CCL5, CXCR3 ALDH1A1 2674/4885SMN1; SMN2 3653/4885GLA 3829/4885

“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.