SCHEMBL3558008

SCHEMBL3558008

O=C(O)CCCc1c[nH]c2c(Br)cccc12

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MPO P05164 5/20 0.56
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 1/20 0.49
SLC6A4 P31645 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
S1PR1 P21453 3/20 0.44
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
DYRK1A Q13627 1/20 0.41

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
SCHEMBL21395928 0.91 HTT (0.55) MPOSMN1; SMN2HTTSLC6A4S1PR1
SCHEMBL16540014 0.82 MPO (0.49) MPOSMN1; SMN2HTTSLC6A4DYRK1A
SCHEMBL5058656 0.82 ALDH1A1 (0.45) MPOSMN1; SMN2HTTMEN1KMT2A
SCHEMBL597473 0.82 SMN1; SMN2 (0.66) MPOSMN1; SMN2HTTMEN1KMT2A
SCHEMBL4797310 0.79 DYRK1A (0.47) MPOSMN1; SMN2HTTSLC6A4DYRK1A
SCHEMBL24961607 0.78 HTT (0.50) MPOSMN1; SMN2HTTMEN1KMT2A
SCHEMBL14631453 0.77 MPO (0.44) MPOSMN1; SMN2HTTSLC6A4
SCHEMBL3566049 0.77 ALDH1A1 (0.44) SMN1; SMN2MEN1KMT2AALDH1A1DYRK1A
SCHEMBL10851385 0.76 CYP1A2 (0.51) MPOSMN1; SMN2HTTSLC6A4CYP1A2
SCHEMBL35884 0.76 MEN1 (0.68) SMN1; SMN2HTTMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1852420-B1 Indole compounds for treating respiratory disorders ONO PHARMACEUTICAL CO (JP) 2012-10-17 EP disclosed
US-7728023-B2 Indole compound and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 US disclosed
US-20080188532-A1 Indole Compound and Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-08-07 US disclosed
CN-101128424-A Indole compound and use thereof ONO PHARMACEUTICAL CO (JP) 2008-02-20 CN disclosed
EP-1852420-A1 INDOLE COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-11-07 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 (1 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-20080188532-A1 Indole Compound and Use Thereof CYSLTR1, LTC4S, IDO1 MPO 679/4885SMN1; SMN2 4777/4885HTT 2464/4885

“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.