SCHEMBL2910235

SCHEMBL2910235

c1cnc2c(c1)=c1cccnc1=2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
TDP1 Q9NUW8 4/20 0.41
HSP90AA1 P07900 3/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 2/20 0.41
CCR1 P32246 2/20 0.41
CCR5 P51681 2/20 0.41
CCR8 P51685 2/20 0.41
HIF1A Q16665 2/20 0.41
TP53 P04637 2/20 0.41
MMP2 P08253 2/20 0.41
TSHR P16473 2/20 0.41
GMNN O75496 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MMP9 P14780 1/20 0.41
ALOX15 P16050 1/20 0.41
NFKB1 P19838 1/20 0.41
MMP8 P22894 1/20 0.41
THPO P40225 1/20 0.41

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
SCHEMBL14935528 0.85 ALDH1A1 (0.40) KDM4ETDP1HSP90AA1MAPTLMNA
SCHEMBL20516698 0.85 ALDH1A1 (0.40) KDM4ETDP1HSP90AA1MAPTLMNA
SCHEMBL28420418 0.85 ALDH1A1 (0.40) KDM4ETDP1HSP90AA1MAPTLMNA
SCHEMBL28526903 0.85 ALDH1A1 (0.40) KDM4ETDP1HSP90AA1MAPTLMNA
SCHEMBL7056576 0.65 KDM4E (0.35) KDM4ETDP1HSP90AA1MAPTLMNA
SCHEMBL503888 0.65
SCHEMBL8194 0.65 ALDH1A1 (0.67) KDM4ETDP1HSP90AA1MAPTLMNA
SCHEMBL30099834 0.65 ALDH1A1 (0.67) KDM4ETDP1HSP90AA1MAPTLMNA
Hydrochloric Acid SCHEMBL3439030 0.62 ALDH1A1 (0.63) KDM4ETDP1HSP90AA1MAPTLMNA
Hydrochloric Acid SCHEMBL3710107 0.62 ALDH1A1 (0.63) KDM4ETDP1HSP90AA1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2221289-B1 METHOD OF PRODUCING ALCOHOL MITSUBISHI CHEM CORP (JP) 2016-10-26 EP disclosed
US-8318990-B2 Process of producing alcohol MITSUBISHI CHEMICAL CORPORATION (JP) 2012-11-27 US disclosed
US-20100298613-A1 PROCESS OF PRODUCING ALCOHOL MITSUBISHI CHEMICAL CORPORATION (JP) 2010-11-25 US disclosed
EP-2221289-A1 METHOD OF PRODUCING ALCOHOL Mitsubishi Chemical Corporation (JP) 2010-08-25 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-20100298613-A1 PROCESS OF PRODUCING ALCOHOL ADH1C, ADH1A, ADH5 KDM4E 856/4885TDP1 4297/4885HSP90AA1 1628/4885

“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.