SCHEMBL5382000

SCHEMBL5382000

CCCCCCc1cc(Cc2ccc(N)c(CCCCCC)c2)ccc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.47
HTR2A P28223 1/20 0.47
TLR8 Q9NR97 8/20 0.43
CYP3A4 P08684 3/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 3/20 0.43
ESR1 P03372 2/20 0.43
ADRA2A P08913 2/20 0.43
ADORA3 P0DMS8 2/20 0.43
TACR2 P21452 2/20 0.43
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43
TP53 P04637 2/20 0.43
HSD17B10 Q99714 2/20 0.43
LMNA P02545 1/20 0.43
SHBG P04278 1/20 0.43
HSPD1 P10809 1/20 0.43
ADRB3 P13945 1/20 0.43
HTR2C P28335 1/20 0.43

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
SCHEMBL11510673 1.00 SKP2 (0.47) SKP2HTR2ATLR8CYP3A4ALDH1A1
SCHEMBL5372549 0.98 SKP2 (0.49) SKP2HTR2ATLR8CYP3A4ALDH1A1
SCHEMBL8094486 0.95 HTR2A (0.51) SKP2HTR2ATLR8CYP3A4ALDH1A1
SCHEMBL8100500 0.95 HTR2A (0.51) SKP2HTR2ATLR8CYP3A4ALDH1A1
SCHEMBL8086520 0.95 HTR2A (0.51) SKP2HTR2ATLR8CYP3A4ALDH1A1
SCHEMBL8094156 0.95 HTR2A (0.51) SKP2HTR2ATLR8CYP3A4ALDH1A1
SCHEMBL8093788 0.95 HTR2A (0.51) SKP2HTR2ATLR8CYP3A4ALDH1A1
SCHEMBL8101948 0.95 HTR2A (0.51) SKP2HTR2ATLR8CYP3A4ALDH1A1
SCHEMBL8101711 0.95 HTR2A (0.51) SKP2HTR2ATLR8CYP3A4ALDH1A1
SCHEMBL8101341 0.95 HTR2A (0.51) SKP2HTR2ATLR8CYP3A4ALDH1A1

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
US-7202359-B2 Azaoxa heterocyclic compound and method of preparing the same CHANG CHUN PLASTICS CO., LTD. (TW) 2007-04-10 US disclosed
US-20050085634-A1 Azaoxa heterocyclic compound and method of preparing the same CHANG CHUN PLASTICS CO., LTD. (TW) 2005-04-21 US disclosed
US-20040068084-A1 Azaoxa heterocyclic compound and method of preparing the same CHANG CHUN PLASTICS CO., LTD. (TW) 2004-04-08 US disclosed
US-4990586-A Medical equipment HEXCEL CORPORATION (US) 1991-02-05 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 (2 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-20040068084-A1 Azaoxa heterocyclic compound and method of preparing the same AOX1, KDM1A, BMI1 SKP2 2214/4885HTR2A 2472/4885TLR8 4587/4885
US-20050085634-A1 Azaoxa heterocyclic compound and method of preparing the same AOX1, KDM1A, BMI1 SKP2 1761/4885HTR2A 2448/4885TLR8 4563/4885

“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.