SCHEMBL16301447

SCHEMBL16301447

O=[N+]([O-])c1ccc(C2c3[nH]c4ccc(Cl)cc4c3CCN2C(=S)Oc2ccc(F)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.54
MAPT P10636 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
ABCG2 Q9UNQ0 4/20 0.44
ABCB1 P08183 2/20 0.44
KIF11 P52732 6/20 0.43
LMNA P02545 2/20 0.43

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
SCHEMBL16301430 0.92 ABCG2 (0.49) TP53MAPTSMN1; SMN2ABCG2ABCB1
SCHEMBL8404164 0.92 TP53 (0.60) TP53MAPTSMN1; SMN2ABCG2ABCB1
SCHEMBL8404177 0.91 TP53 (0.59) TP53MAPTSMN1; SMN2ABCG2ABCB1
SCHEMBL8404171 0.88 TP53 (0.65) TP53MAPTSMN1; SMN2ABCG2ABCB1
SCHEMBL8404176 0.88 TP53 (0.56) TP53MAPTSMN1; SMN2ABCG2ABCB1
SCHEMBL8404172 0.88 TP53 (0.58) TP53MAPTSMN1; SMN2ABCG2ABCB1
SCHEMBL10085985 0.88 TP53 (0.56) TP53MAPTSMN1; SMN2ABCG2ABCB1
SCHEMBL8403533 0.87 TP53 (0.57) TP53MAPTSMN1; SMN2ABCG2ABCB1
SCHEMBL8404170 0.87 TP53 (0.57) TP53MAPTSMN1; SMN2ABCG2ABCB1
SCHEMBL8404166 0.86 TP53 (0.55) TP53MAPTSMN1; SMN2ABCG2ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1737461-B1 CARBOLINE DERIVATIVES USEFUL IN THE INHIBITION OF ANGIOGENESIS PTC THERAPEUTICS INC (US) 2012-12-12 EP disclosed
EP-2431369-A2 Carboline derivatives useful in the inhibition of angiogenesis PTC Therapeutics, Inc. (US) 2012-03-21 EP disclosed
WO-2011150162-A1 METHODS FOR TREATING VIRAL CONDITIONS PTC THERAPEUTICS, INC. (US) 2011-12-01 WO disclosed
US-7767689-B2 Carboline derivatives useful in the treatment of cancer PTC THERAPEUTICS, INC. (US) 2010-08-03 US disclosed
US-20090227574-A2 Administration of Carboline Derivatives Useful in the Treatment of Cancer and Other Diseases PTC THERAPEUTICS, INC. (US) 2009-09-10 US disclosed
WO-2008127714-A1 ADMINISTRATION OF CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISEASES PTC THERAPEUTICS, INC. (US) 2008-10-23 WO disclosed
WO-2008127715-A1 CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISEASES PTC THERAPEUTICS, INC. (US) 2008-10-23 WO disclosed
WO-2005089764-A9 CARBOLINE DERIVATIVES USEFUL IN THE INHIBITION OF ANGIOGENESIS PTC THERAPEUTICS INC (US) 2007-09-13 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-20090227574-A2 Administration of Carboline Derivatives Useful in the Treatment of Cancer and Other Diseases VEGFA, FLT4, FLT1 TP53 52/4885MAPT 3997/4885SMN1; SMN2 3261/4885

“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.