SCHEMBL12682633

SCHEMBL12682633

COc1cc(/C=N/Nc2nc3ccccc3[nH]2)ccc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 17/20 1.00
▸ GAA P10253 17/20 1.00
▸ KDM4E B2RXH2 5/20 1.00
▸ POLB P06746 4/20 1.00
▸ TDP1 Q9NUW8 4/20 1.00
▸ GFER P55789 3/20 1.00
▸ HPGD P15428 2/20 1.00
▸ HTT P42858 3/20 0.80
▸ LMNA P02545 1/20 0.80
▸ TP53 P04637 1/20 0.80
▸ NPSR1 Q6W5P4 1/20 0.80
▸ KMT2A Q03164 9/20 0.74
▸ SMN1; SMN2 Q16637 4/20 0.74
▸ MEN1 O00255 7/20 0.74
▸ ALDH1A1 P00352 1/20 0.74
▸ CYP1A2 P05177 1/20 0.74
▸ CYP2D6 P10635 1/20 0.74
▸ CYP2C9 P11712 1/20 0.74
▸ CYP2C19 P33261 1/20 0.74
▸ RAB9A P51151 9/20 0.67

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
SCHEMBL10280285 0.81 MAPT (0.73) MAPTGAAKDM4EPOLBTDP1
SCHEMBL880212 0.81 PLA2G10 (0.72) MAPTGAAKDM4EPOLBTDP1
SCHEMBL15359675 0.78 MAPT (0.76) MAPTGAAKDM4EPOLBTDP1
SCHEMBL10280287 0.78 MAPT (0.76) MAPTGAAKDM4EPOLBTDP1
SCHEMBL12162618 0.77 GAA (0.69) MAPTGAAKDM4EPOLBTDP1
SCHEMBL10280286 0.76 MAPT (1.00) MAPTGAAKDM4EPOLBTDP1
SCHEMBL13427293 0.76 POLB (0.73) MAPTGAAKDM4EPOLBTDP1
SCHEMBL880213 0.76 MAPT (0.61) MAPTGAAKDM4EPOLBTDP1
SCHEMBL880415 0.75 MAPT (0.69) MAPTGAAKDM4EPOLBTDP1
SCHEMBL880349 0.75 GAA (1.00) MAPTGAAKDM4EPOLBTDP1

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
US-9643977-B2 Necroptosis inhibitors and methods of use therefor PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-05-09 — — US disclosed
US-9643977-B2 Necroptosis inhibitors and methods of use therefor PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-05-09 — — US disclosed
US-20140066466-A1 Necroptosis Inhibitors and Methods of Use Therefor PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-03-06 — — US disclosed
US-20140066466-A1 Necroptosis Inhibitors and Methods of Use Therefor PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-03-06 — — US disclosed
WO-2012125544-A2 NECROPTOSIS INHIBITORS AND METHODS OF USE THEREFOR PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-09-20 — — 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-20140066466-A1 Necroptosis Inhibitors and Methods of Use Therefor CD40, CD40LG, TNF MAPT 3289/4885GAA 1797/4885KDM4E 2829/4885

“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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