SCHEMBL9914993

SCHEMBL9914993

CCCCNc1nc(NCCCC)nc(NCCCC#N)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
SLC29A1 Q99808 1/20 0.45
KCNH3 Q9ULD8 2/20 0.44
KMT2A Q03164 1/20 0.44
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 3/20 0.42
GBA1 P04062 1/20 0.38
DNM2 P50570 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
BCHE P06276 1/20 0.36
TRPC3 Q13507 1/20 0.36

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
SCHEMBL2784426 0.83 SLC29A1 (0.57) SLC29A1KCNH3KMT2ACA1CA2
SCHEMBL6644910 0.81 LMNA (0.61) KMT2AALDH1A1CYP1A2CYP2C19
SCHEMBL21587503 0.81 SLC29A1 (0.55) SLC29A1KCNH3KMT2ACA1CA2
SCHEMBL9847977 0.78 ALDH1A1 (0.40) TSHRKMT2AALDH1A1HPGDCYP1A2
SCHEMBL7776218 0.77 KMT2A (0.65) SLC29A1KCNH3KMT2ACA1CA2
SCHEMBL2783126 0.77 KMT2A (0.65) SLC29A1KCNH3KMT2ACA1CA2
SCHEMBL9913716 0.77 CYP1A2 (0.57) SLC29A1KCNH3KMT2ACA1CA2
SCHEMBL7774845 0.77 KMT2A (0.65) SLC29A1KCNH3KMT2ACA1CA2
SCHEMBL514975 0.77 KCNH3 (0.63) TSHRSLC29A1KCNH3KMT2ACA1
SCHEMBL9388486 0.77 THRB (0.43) ALDH1A1CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198387-B2 Proton-conducting compound and proton-conducting polymer NIPPON STEEL CHEMICAL CO., LTD. (JP) 2012-06-12 US disclosed
US-20100063249-A1 PROTON-CONDUCTING COMPOUND AND PROTON-CONDUCTING POLYMER NIPPON STREEL CHEMICAL CO., LTD (JP) 2010-03-11 US disclosed
EP-2078715-A1 PROTON CONDUCTING COMPOUND AND PROTON CONDUCTING POLYMER Nippon Steel Chemical Co., Ltd. (JP) 2009-07-15 EP 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-20100063249-A1 PROTON-CONDUCTING COMPOUND AND PROTON-CONDUCTING POLYMER HRH3, H1-3, H1-4 TSHR 1312/4885SLC29A1 535/4885KCNH3 49/4885

“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.