SCHEMBL12420839

SCHEMBL12420839

c1ccc(-c2ncc(CN3CCNCC3)s2)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
SIGMAR1 Q99720 2/20 0.53
CYP11B1 P15538 3/20 0.52
CYP11B2 P19099 2/20 0.52
LMNA P02545 3/20 0.47
RECQL P46063 1/20 0.47
KMT2A Q03164 1/20 0.47
HDAC1 Q13547 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
MAPK1 P28482 1/20 0.44
GAA P10253 1/20 0.43
CXCR4 P61073 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40

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
SCHEMBL11433164 0.87 ALDH1A1 (0.57) ALDH1A1CYP11B1CYP11B2LMNARECQL
SCHEMBL11393201 0.85 HDAC1 (0.58) ALDH1A1CYP11B1CYP11B2LMNARECQL
SCHEMBL11388939 0.84 SMN1; SMN2 (0.56) ALDH1A1CYP11B1CYP11B2LMNARECQL
SCHEMBL12789241 0.81 ALDH1A1 (0.51) ALDH1A1CYP11B1CYP11B2LMNARECQL
SCHEMBL13940677 0.80 ALDH1A1 (0.53) ALDH1A1CYP11B1CYP11B2LMNARECQL
SCHEMBL12789677 0.77 CYP11B1 (0.52) ALDH1A1CYP11B1CYP11B2LMNARECQL
SCHEMBL12790145 0.77 LMNA (0.53) ALDH1A1CYP11B1CYP11B2LMNARECQL
SCHEMBL12790148 0.77 LMNA (0.53) ALDH1A1CYP11B1CYP11B2LMNARECQL
SCHEMBL17099417 0.76 LMNA (0.54) ALDH1A1CYP11B1CYP11B2LMNARECQL
SCHEMBL12790138 0.76 CYP11B1 (0.48) ALDH1A1CYP11B1CYP11B2LMNARECQL

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-20110172230-A1 UREA COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-07-14 US disclosed
US-20110172230-A1 UREA COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-07-14 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-20110172230-A1 UREA COMPOUND OR SALT THEREOF FAAH, FAAH2, UTS2R ALDH1A1 259/4885SIGMAR1 1928/4885CYP11B1 2516/4885

“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.