SCHEMBL10045804

SCHEMBL10045804

CN(C)CCc1oc(-c2cccc(C(N)COCc3ccccc3)n2)nc1-c1cccc(C(=O)OCc2ccccc2)n1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES1 P23141 5/20 0.35
FAAH O00519 3/20 0.32
ALDH1A1 P00352 4/20 0.32
TSHR P16473 1/20 0.32
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 2/20 0.31
TAAR1 Q96RJ0 1/20 0.31
HPGD P15428 1/20 0.31
NCEH1 Q6PIU2 1/20 0.30
SLC1A1 P43005 1/20 0.30

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
SCHEMBL800983 0.77 TNF (0.33)
SCHEMBL10045808 0.70 TAAR1 (0.47) CES1FAAHKMT2ATAAR1NCEH1
SCHEMBL20805437 0.64 TDP1 (0.49) ALDH1A1TSHRRAB9ASMN1; SMN2KMT2A
SCHEMBL22946291 0.63 TDP1 (0.61) ALDH1A1TSHRPOLBKMT2ALMNA
SCHEMBL17485944 0.60 CYP1A2 (0.56) ALDH1A1TSHRKDM4ERAB9ASMN1; SMN2
SCHEMBL1244820 0.60 TDP1 (0.57) ALDH1A1TSHRKDM4EKMT2ALMNA
Dipicolinic Acid SCHEMBL5611142 0.60 TDP1 (0.57) ALDH1A1TSHRKDM4EKMT2ALMNA
SCHEMBL29030257 0.59 TDP1 (0.55) ALDH1A1TSHRKDM4EKMT2ALMNA
SCHEMBL20083642 0.59 TDP1 (0.54) ALDH1A1POLBKMT2ALMNAMAPT
SCHEMBL7419155 0.58 SLC1A1 (0.60) ALDH1A1TSHRMEN1KMT2ASLC1A1

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-8093235-B2 Macrocyclic compounds which stabilize G-Quadruplex DNA and RNA RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2012-01-10 US disclosed
US-20090156627-A1 THERAPEUTIC COMPOUNDS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-06-18 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-20090156627-A1 THERAPEUTIC COMPOUNDS TOP2B, DDB1, RECQL CES1 4399/4885FAAH 4878/4885ALDH1A1 2075/4885

“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.