SCHEMBL3447734

SCHEMBL3447734

COc1ccc(C=CC(=O)Nc2ccncc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.72
▸ SMN1; SMN2 Q16637 5/20 0.72
▸ TP53 P04637 4/20 0.72
▸ MMP1 P03956 4/20 0.72
▸ MMP2 P08253 4/20 0.72
▸ MMP9 P14780 4/20 0.72
▸ THRB P10828 1/20 0.72
▸ LMNA P02545 5/20 0.71
▸ MAPK1 P28482 2/20 0.71
▸ ALDH1A1 P00352 2/20 0.71
▸ CYP2D6 P10635 2/20 0.71
▸ NPC1 O15118 2/20 0.71
▸ RAB9A P51151 2/20 0.71
▸ CYP3A4 P08684 1/20 0.71
▸ PKM P14618 1/20 0.71
▸ TSHR P16473 1/20 0.71
▸ NFKB1 P19838 1/20 0.71
▸ CYP2C19 P33261 1/20 0.71
▸ THPO P40225 1/20 0.71
▸ MEN1 O00255 1/20 0.71

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
SCHEMBL3447730 1.00 MAPT (0.72) MAPTSMN1; SMN2TP53MMP1MMP2
SCHEMBL17693073 0.90 MAPT (0.88) MAPTSMN1; SMN2TP53MMP1MMP2
4-Methoxy-Cinnamanilide SCHEMBL14375152 0.85 MMP1 (0.89) MAPTSMN1; SMN2TP53MMP1MMP2
SCHEMBL14960821 0.84 MAPT (0.72) MAPTSMN1; SMN2TP53MMP1MMP2
SCHEMBL21625686 0.83 MAPT (1.00) MAPTSMN1; SMN2TP53MMP1MMP2
N-(4-Methoxyphenyl)Cinnamamide SCHEMBL4131114 0.82 MMP1 (1.00) MAPTSMN1; SMN2TP53MMP1MMP2
N-(4-Methoxyphenyl)Cinnamamide SCHEMBL4131112 0.82 MMP1 (1.00) MAPTSMN1; SMN2TP53MMP1MMP2
N-(4-Methoxyphenyl)Cinnamamide SCHEMBL9094893 0.82 MMP1 (1.00) MAPTSMN1; SMN2TP53MMP1MMP2
SCHEMBL8751515 0.82 MAPT (0.77) MAPTSMN1; SMN2TP53MMP1MMP2
SCHEMBL8751492 0.82 MAPT (0.77) MAPTSMN1; SMN2TP53MMP1MMP2

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
US-8907109-B2 Methods and systems for treating cell proliferation disorders with psoralen derivatives IMMUNOLIGHT, LLC (US) 2014-12-09 — — US disclosed
US-8791275-B2 Methods and systems for treating cell proliferation disorders with psoralen derivatives DUKE UNIVERSITY (US) 2014-07-29 — — US disclosed
US-20130129757-A1 METHODS AND SYSTEMS FOR TREATING CELL PROLIFERATION DISORDERS WITH PSORALEN DERIVATIVES IMMUNOLIGHT, LLC (US) 2013-05-23 — — US disclosed
US-20130131429-A1 METHODS AND SYSTEMS FOR TREATING CELL PROLIFERATION DISORDERS WITH PSORALEN DERIVATIVES lmmunolight, LLC (US) 2013-05-23 — — US disclosed
US-8383836-B2 Methods and systems for treating cell proliferation disorders with psoralen derivatives DUKE UNIVERSITY (US) 2013-02-26 — — US disclosed
US-20100266621-A1 METHODS AND SYSTEMS FOR TREATING CELL PROLIFERATION DISORDERS WITH PSORALEN DERIVATIVES DUKE UNIVERSITY (US) 2010-10-21 — — 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 (3 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-20100266621-A1 METHODS AND SYSTEMS FOR TREATING CELL PROLIFERATION DISORDERS WITH PSORALEN DERIVATIVES CDK20, NFATC1, CDK10 MAPT 4295/4885SMN1; SMN2 2128/4885TP53 408/4885
US-20130131429-A1 METHODS AND SYSTEMS FOR TREATING CELL PROLIFERATION DISORDERS WITH PSORALEN DERIVATIVES CDK20, NFATC1, CDK10 MAPT 4295/4885SMN1; SMN2 2128/4885TP53 408/4885
US-20130129757-A1 METHODS AND SYSTEMS FOR TREATING CELL PROLIFERATION DISORDERS WITH PSORALEN DERIVATIVES CDK20, NFATC1, CDK10 MAPT 4295/4885SMN1; SMN2 2128/4885TP53 408/4885

“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.

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