SCHEMBL5873086

SCHEMBL5873086

COc1ccc2c(N3CCCCCC3)cc(C)nc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 4/20 0.63
ALDH1A1 P00352 4/20 0.56
KDM4E B2RXH2 2/20 0.56
KMT2A Q03164 2/20 0.53
TSHR P16473 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
TUBB4A P04350 1/20 0.51
TUBB P07437 1/20 0.51
TUBA3C P0DPH7 1/20 0.51
TUBA1B P68363 1/20 0.51
TUBA4A P68366 1/20 0.51
TUBB4B P68371 1/20 0.51
TUBB3 Q13509 1/20 0.51
TUBB2A Q13885 1/20 0.51
TUBB8 Q3ZCM7 1/20 0.51
TUBA3E Q6PEY2 1/20 0.51
TUBA1A Q71U36 1/20 0.51
TUBA1C Q9BQE3 1/20 0.51
TUBB6 Q9BUF5 1/20 0.51
TUBB2B Q9BVA1 1/20 0.51

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
SCHEMBL5036263 0.99 NCF1 (0.61) NCF1ALDH1A1KDM4EKMT2ATSHR
Hydrochloric Acid SCHEMBL6377887 0.97 NCF1 (0.59) NCF1ALDH1A1KDM4EKMT2ATSHR
SCHEMBL5402285 0.90 NCF1 (0.58) NCF1ALDH1A1KDM4EKMT2ATSHR
SCHEMBL5405102 0.88 NCF1 (0.56) NCF1ALDH1A1KDM4EKMT2ATSHR
SCHEMBL5033327 0.86 NCF1 (0.51) NCF1ALDH1A1KDM4EKMT2ATUBB4A
SCHEMBL5405430 0.85 NCF1 (0.50) NCF1ALDH1A1KDM4EKMT2ATSHR
SCHEMBL5036246 0.85 NCF1 (0.50) NCF1ALDH1A1KDM4EKMT2ATSHR
SCHEMBL5412027 0.85 NCF1 (0.55) NCF1ALDH1A1KDM4EKMT2ATSHR
Hydrochloric Acid SCHEMBL5042719 0.85 NCF1 (0.50) NCF1ALDH1A1KDM4EKMT2ATUBB4A
Hydrochloric Acid SCHEMBL5040490 0.84 NCF1 (0.49) NCF1ALDH1A1KDM4EKMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7012073-B2 Quinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2006-03-14 US disclosed
US-20040259858-A1 Quinoline derivatives KLUG MICHAEL G (US) 2004-12-23 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-20040259858-A1 Quinoline derivatives RAB1A, GLS, REN NCF1 1277/4885ALDH1A1 700/4885KDM4E 1521/4885

“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.