SCHEMBL3501919

SCHEMBL3501919

Nc1n[nH]cc1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MPO P05164 3/20 0.44
TPO P07202 1/20 0.44
CYP3A4 P08684 1/20 0.44
EPX P11678 1/20 0.44
TLR7 Q9NYK1 1/20 0.44
GLA P06280 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR2A P28223 1/20 0.41
PNP P00491 1/20 0.41
CALM1 P0DP23 1/20 0.41
LTB4R Q15722 1/20 0.41
AOC3 Q16853 1/20 0.41
MET P08581 1/20 0.40

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
SCHEMBL22083543 0.81 DAO (0.43) CYP3A4MEN1KMT2ACALM1MET
SCHEMBL27629487 0.78 PARP1 (0.43) MPOTPOCYP3A4EPXMEN1
SCHEMBL29339712 0.78 TP53 (0.40) MEN1KMT2ACALM1MET
SCHEMBL4857853 0.77 BCL2 (0.48) CYP3A4MEN1KMT2ACALM1MET
SCHEMBL16148679 0.77 TYMP (0.42) CYP3A4MEN1KMT2ACALM1MET
SCHEMBL8993116 0.77 LTA4H (0.45) MPOCYP3A4CALM1LTB4RAOC3
SCHEMBL14720321 0.75 GPR84 (0.38) MPOMEN1KMT2A
SCHEMBL3318684 0.74 KMT2A (0.40) MPOTPOCYP3A4EPXMEN1
SCHEMBL7421266 0.74 ALDH1A1 (0.40) MPOTPOCYP3A4EPXMEN1
SCHEMBL7428528 0.74 BCL2 (0.46) CYP3A4MEN1KMT2ACALM1MET

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
WO-2022115384-A1 TRICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. (US) 2022-06-02 WO disclosed
US-9096605-B2 Pyrazolopyrimidine derivatives as PI3 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2015-08-04 US disclosed
US-20100144793-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS AC IMMUNE SA (CH) 2010-06-10 US disclosed
EP-2121619-A2 COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS AC Immune S.A. (CH) 2009-11-25 EP disclosed
WO-2008061796-A2 COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS AC IMMUNE SA (CH) 2008-05-29 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 (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-20100144793-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS APP, BACE1, APBA1 MPO 3124/4885TPO 4832/4885CYP3A4 3063/4885

“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.