SCHEMBL1785716

SCHEMBL1785716

Nc1nc(Cl)c2c(n1)N(CN1CCOCC1)C(=O)/C2=C/c1ncc[nH]1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
ALDH1A1 P00352 2/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
ALDH3A1 P30838 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL1785712 1.00 HSP90AA1 (0.32) HSP90AA1HSP90AB1ALDH1A1CA1CA2
SCHEMBL1785722 1.00 HSP90AA1 (0.32) HSP90AA1HSP90AB1ALDH1A1CA1CA2
SCHEMBL12613573 0.84 MTOR (0.34)
SCHEMBL27831856 0.77
SCHEMBL1080708 0.77 TLR7 (0.31) HSP90AA1HSP90AB1
SCHEMBL12613677 0.75 TLK2 (0.30)
SCHEMBL12613588 0.74 TLK2 (0.31)
SCHEMBL1789979 0.74 TLK2 (0.33) ALDH1A1MAPT
SCHEMBL1789987 0.74 TLK2 (0.33) ALDH1A1MAPT
SCHEMBL1789969 0.74 TLK2 (0.33) ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110124634-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES PONIARD PHARMACEUTICALS, INC. 2011-05-26 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-20110124634-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES PARK7, BDNF, BACE1 HSP90AA1 1418/4885HSP90AB1 667/4885ALDH1A1 1159/4885

“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.