SCHEMBL20183506

SCHEMBL20183506

CCn1c(=O)cc(C2CC2)c2cc(C(=O)N(C)c3ccccc3C(=O)O)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.38
TSHR P16473 3/20 0.38
POLB P06746 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
KDM4E B2RXH2 4/20 0.37
HPGD P15428 3/20 0.37
HSD17B10 Q99714 1/20 0.37
PPARG P37231 1/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
BLM P54132 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PKM P14618 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
SCHEMBL20806266 0.90 HTR3E (0.39) ALDH1A1TSHRPOLBNPSR1HTR3E
SCHEMBL20183487 0.89 POLB (0.41) ALDH1A1TSHRPOLBNPSR1HTR3E
SCHEMBL20183612 0.88 ALDH1A1 (0.52) ALDH1A1TSHRPOLBNPSR1HTR3E
SCHEMBL20183528 0.87 KDM4E (0.48) ALDH1A1TSHRPOLBKDM4EMAPT
SCHEMBL20183811 0.85 ALDH1A1 (0.42) ALDH1A1TSHRKDM4EHPGDHSD17B10
SCHEMBL20183576 0.85 ALDH1A1 (0.40) ALDH1A1TSHRPOLBNPSR1HTR3E
SCHEMBL20183762 0.85 ALDH1A1 (0.39) ALDH1A1TSHRPOLBNPSR1KDM4E
SCHEMBL20183587 0.83 KDM4E (0.41) ALDH1A1TSHRHTR3EHTR3BHTR3A
SCHEMBL20183621 0.83 KDM4E (0.46) ALDH1A1TSHRKDM4EHPGDHSD17B10
SCHEMBL20183682 0.82 KDM4E (0.46) ALDH1A1TSHRPOLBHTR3EHTR3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-3327004-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND FUJIFILM CORP (JP) 2020-11-04 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
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
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 3243/4885TSHR 1307/4885POLB 2400/4885
US-10696637-B2 Nitrogen-containing heterocyclic compound CXCL10, CCL5, CXCR3 ALDH1A1 3095/4885TSHR 2146/4885POLB 2919/4885
US-20190314360-A1 ANTITUMOR AGENT AND BROMODOMAIN INHIBITOR BRD4, BRD1, BRD3 ALDH1A1 3243/4885TSHR 1307/4885POLB 2400/4885
US-20190077761-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CXCL10, CCL5, CXCR3 ALDH1A1 3095/4885TSHR 2146/4885POLB 2919/4885
US-10633343-B2 CXCL10, CCL5, CXCR3 ALDH1A1 2674/4885TSHR 1621/4885POLB 3220/4885

“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.