SCHEMBL2279450

SCHEMBL2279450

O=[N+]([O-])c1cccc(Cc2ccc3cc[nH]c3c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
GFER P55789 1/20 0.49
TSHR P16473 2/20 0.49
CYP19A1 P11511 1/20 0.44
LMNA P02545 2/20 0.43
NLRP3 Q96P20 2/20 0.43
HTT P42858 1/20 0.43
POLB P06746 2/20 0.42
BACE1 P56817 2/20 0.42
ADORA2A P29274 1/20 0.41
THRA P10827 1/20 0.41
PARP1 P09874 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 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
SCHEMBL10918542 0.80 TSHR (0.71) KMT2AMEN1GAATSHRCYP19A1
SCHEMBL29904251 0.78 MAPT (0.54) LMNAHTTPOLBPARP1KDM4E
SCHEMBL30011 0.78 MAPT (0.54) LMNAHTTPOLBPARP1KDM4E
Indole SCHEMBL28704870 0.78 KMT2A (0.50) KMT2AMEN1GAAGFERTSHR
SCHEMBL1225953 0.78 PGR (0.51) KMT2AMEN1TSHRLMNAHTT
SCHEMBL25215227 0.77 CYP19A1 (0.68) KMT2AMEN1CYP19A1POLBCYP1A2
SCHEMBL10651848 0.77 TSHR (0.62) KMT2AMEN1TSHRCYP19A1LMNA
SCHEMBL7504545 0.77 BACE1 (0.48) KMT2AMEN1NLRP3POLBBACE1
SCHEMBL29864638 0.75 TSHR (0.65) KMT2AMEN1TSHRCYP19A1LMNA
SCHEMBL5250015 0.75 TSHR (0.65) KMT2AMEN1TSHRCYP19A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455516-B2 HIV-1 fusion inhibitors and methods TOURO UNIVERSITY (US) 2013-06-04 US claimed
US-20110190343-A1 HIV-1 FUSION INHIBITORS AND METHODS TOURO UNIVERSITY (US) 2011-08-04 US claimed
US-8455516-B2 HIV-1 fusion inhibitors and methods TOURO UNIVERSITY (US) 2013-06-04 US disclosed
US-20110190343-A1 HIV-1 FUSION INHIBITORS AND METHODS TOURO UNIVERSITY (US) 2011-08-04 US 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-20110190343-A1 HIV-1 FUSION INHIBITORS AND METHODS FLI1, API5, MAVS KMT2A 4015/4885MEN1 4433/4885GAA 3144/4885

“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.