SCHEMBL4749267

SCHEMBL4749267

C/C(=N/C1CCCCC1)c1ncccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
ALOX15 P16050 1/20 0.51
RAB9A P51151 3/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
MAPK1 P28482 1/20 0.44
SIGMAR1 Q99720 5/20 0.41
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
KDM4E B2RXH2 4/20 0.36
GAA P10253 2/20 0.36
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL4894210 1.00 ALDH1A1 (0.51) ALDH1A1ALOX15RAB9AMAPTSMN1; SMN2
SCHEMBL6714109 0.80 KDM4E (0.54) ALDH1A1ALOX15RAB9AMAPTSMN1; SMN2
SCHEMBL6714110 0.80 KDM4E (0.54) ALDH1A1ALOX15RAB9AMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL7180535 0.74 ALDH1A1 (0.51) ALDH1A1ALOX15RAB9AMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL7173330 0.74 ALDH1A1 (0.51) ALDH1A1ALOX15RAB9AMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL6119092 0.74 ALDH1A1 (0.51) ALDH1A1ALOX15RAB9AMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL7175502 0.74 ALDH1A1 (0.51) ALDH1A1ALOX15RAB9AMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL7183213 0.74 ALDH1A1 (0.51) ALDH1A1ALOX15RAB9AMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL7175999 0.74 ALDH1A1 (0.51) ALDH1A1ALOX15RAB9AMAPTSMN1; SMN2
SCHEMBL4887030 0.73 ALDH1A1 (0.54) ALDH1A1ALOX15RAB9AMAPTSMN1; SMN2

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-20080269266-A1 NOVEL COMPOUNDS 747 ASTRAZENECA AB (SE) 2008-10-30 US disclosed
WO-2008117051-A1 S-6-METH0XY-2- (2- (3- (PYRIMID-2-YL) IS0XAZ0L-5-YL) PYRROLIDIN-1-YL) -4- (5-METHYL-IH-PYRAZOL-S-YLAMINO) PYRIMIDINE AND POLYMORPHIC FORMS THEREOF AS MODULATORS OF THE INSULIN-LIKE GROWTH ASTRAZENECA AB (SE) 2008-10-02 WO 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-20080269266-A1 NOVEL COMPOUNDS 747 UGT2B7, UGT1A7, CYP3A7 ALDH1A1 790/4885ALOX15 3906/4885RAB9A 1107/4885

“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.