SCHEMBL18554452

SCHEMBL18554452

O=C1c2ccccc2C(=O)N1c1cccc(Br)c1F

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
CASP1 P29466 1/20 0.45
HTT P42858 1/20 0.44
MGLL Q99685 1/20 0.43
NR1H3 Q13133 6/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NR1H2 P55055 3/20 0.42
BRD1 O95696 1/20 0.39
TAF1 P21675 1/20 0.39
BRPF1 P55201 1/20 0.39
CYP3A4 P08684 1/20 0.39
NFKB1 P19838 1/20 0.39
PMP22 Q01453 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
SCHEMBL10824922 0.79 KMT2A (0.58) POLBCASP1MGLLNR1H3MEN1
SCHEMBL4649466 0.76 POLB (0.65) POLBCASP1NR1H3MEN1KMT2A
SCHEMBL7751815 0.75 MGLL (0.61) POLBCASP1MGLLNR1H3MEN1
SCHEMBL17028394 0.75 RAB9A (0.46) POLBHTTMGLLNR1H3MEN1
SCHEMBL17326673 0.75 MGLL (0.47) POLBCASP1MGLLMEN1KMT2A
SCHEMBL31637505 0.74 MGLL (0.38) POLBMGLLMEN1KMT2A
SCHEMBL10808006 0.71 ALDH1A1 (0.50) POLBHTTMGLLNR1H3MEN1
SCHEMBL10598422 0.70 MGLL (0.55) POLBCASP1HTTMGLLNR1H3
SCHEMBL122221 0.70 P2RX7 (0.46) MEN1KMT2A
SCHEMBL29562162 0.70 ESR1 (0.49) POLBCASP1NR1H3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3340982-B1 COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS INC (US) 2021-12-15 EP disclosed
EP-3340982-B1 COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS INC (US) 2021-12-15 EP disclosed
US-10807952-B2 Compounds for treatment of immune inflammatory disorders ACHILLION PHARMACEUTICALS, INC. (US) 2020-10-20 US disclosed
US-20180201580-A1 COMPOUNDS FOR TREATMENT OF IMMUNE INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2018-07-19 US disclosed
EP-3340982-A1 COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS Achillion Pharmaceuticals, Inc. (US) 2018-07-04 EP disclosed
WO-2017035408-A1 COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-02 WO 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-10807952-B2 Compounds for treatment of immune inflammatory disorders CFD, TFPI, CFH POLB 2594/4885CASP1 177/4885HTT 4130/4885
US-20180201580-A1 COMPOUNDS FOR TREATMENT OF IMMUNE INFLAMMATORY DISORDERS CFD, TFPI, CFH POLB 2594/4885CASP1 177/4885HTT 4130/4885

“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.