SCHEMBL14045693

SCHEMBL14045693

O=C(c1ccccc1)n1c(=O)ccn([C@H]2CC[C@@H](CO)O2)c1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.55
RIN1 Q13671 1/20 0.55
CYP1A2 P05177 1/20 0.55
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
ALB P02768 1/20 0.38
MAPK1 P28482 1/20 0.38
HPGD P15428 1/20 0.34
KDM4E B2RXH2 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
IDO1 P14902 1/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
L3MBTL3 Q96JM7 1/20 0.33

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
SCHEMBL29897114 0.82 CYP1A2 (0.56) ABL1RIN1CYP1A2ALDH1A1LMNA
SCHEMBL14024400 0.80 TK1 (0.42) CYP1A2LMNASMN1; SMN2POLBRNASE1
SCHEMBL26916163 0.77 P2RX4 (0.41) ALDH1A1HPGDKDM4EIDO1POLB
SCHEMBL23797137 0.76 ABL1 (0.46) ABL1RIN1CYP1A2ALDH1A1LMNA
SCHEMBL6632471 0.76 ABL1 (0.46) ABL1RIN1CYP1A2ALDH1A1LMNA
SCHEMBL5013964 0.76 ABL1 (0.46) ABL1RIN1CYP1A2ALDH1A1LMNA
SCHEMBL12062406 0.75 KDM4E (0.45) ALDH1A1HPGDKDM4ESMN1; SMN2POLB
SCHEMBL6330943 0.74 ABL1 (0.44) ABL1RIN1CYP1A2ALDH1A1LMNA
SCHEMBL9351697 0.71 ABL1 (0.42) ABL1RIN1CYP1A2ALDH1A1LMNA
SCHEMBL9351701 0.71 ABL1 (0.42) ABL1RIN1CYP1A2ALDH1A1LMNA

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-20080269476-A1 Molecules and methods for nucleic acid sequencing HELICOS BIOSCIENCES CORPORATION (US) 2008-10-30 US disclosed
US-20080103058-A1 Molecules and methods for nucleic acid sequencing HELICOS BIOSCIENCES CORPORATION (US) 2008-05-01 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-20080103058-A1 Molecules and methods for nucleic acid sequencing POLRMT, RNGTT, POLM ABL1 164/4885RIN1 4191/4885CYP1A2 2401/4885
US-20080269476-A1 Molecules and methods for nucleic acid sequencing POLRMT, RNGTT, POLM ABL1 164/4885RIN1 4191/4885CYP1A2 2401/4885

“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.