SCHEMBL20183775

SCHEMBL20183775

CCn1c(=O)cc(C(C)C)c2cc(N(C)C(=O)c3ccc(Cl)cc3OC)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
TP53 P04637 4/20 0.41
POLB P06746 2/20 0.41
MAPT P10636 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
RAB9A P51151 1/20 0.37
RORC P51449 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PLAU P00749 1/20 0.35
LPAR1 Q92633 1/20 0.35
HTR1A P08908 1/20 0.35
HTR2A P28223 1/20 0.35
HTR7 P34969 1/20 0.35
HTR6 P50406 1/20 0.35

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
SCHEMBL20183790 0.89 TP53 (0.40) TSHRTP53POLBMAPTALDH1A1
SCHEMBL20354219 0.88 ALDH1A1 (0.39) TSHRTP53POLBMAPTALDH1A1
SCHEMBL20183674 0.87 TP53 (0.38) TSHRTP53POLBMAPTALDH1A1
SCHEMBL20183517 0.84 RXFP1 (0.40) TSHRTP53POLBMAPTALDH1A1
SCHEMBL20183809 0.84 MAPT (0.40) TP53POLBMAPTALDH1A1RORC
SCHEMBL20183857 0.83 RXFP1 (0.40) TSHRTP53POLBMAPTALDH1A1
SCHEMBL20183698 0.82 TP53 (0.35) TSHRTP53POLBMAPTALDH1A1
SCHEMBL20183738 0.82 TP53 (0.35) TP53POLBMAPTALDH1A1KMT2A
SCHEMBL20183854 0.81 ALDH1A1 (0.42) TP53POLBMAPTALDH1A1KMT2A
SCHEMBL20183650 0.80 ALDH1A1 (0.41) TSHRTP53POLBMAPTALDH1A1

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 14 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-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
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 TSHR 1307/4885TP53 94/4885POLB 2400/4885
US-10696637-B2 Nitrogen-containing heterocyclic compound CXCL10, CCL5, CXCR3 TSHR 2146/4885TP53 1844/4885POLB 2919/4885
US-20190314360-A1 ANTITUMOR AGENT AND BROMODOMAIN INHIBITOR BRD4, BRD1, BRD3 TSHR 1307/4885TP53 94/4885POLB 2400/4885
US-20190077761-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CXCL10, CCL5, CXCR3 TSHR 2146/4885TP53 1844/4885POLB 2919/4885
US-10633343-B2 CXCL10, CCL5, CXCR3 TSHR 1621/4885TP53 1821/4885POLB 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.