SCHEMBL10100334

SCHEMBL10100334

C=CCNC(=O)c1c2ccccc2cc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.55
ALDH1A1 P00352 6/20 0.55
CYP1A2 P05177 4/20 0.50
LMNA P02545 1/20 0.50
KDM4E B2RXH2 4/20 0.49
CYP2C19 P33261 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
GLA P06280 1/20 0.49
HSD17B10 Q99714 1/20 0.49
PKM P14618 1/20 0.48
TP53 P04637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
GAA P10253 1/20 0.46
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALOX15 P16050 1/20 0.45
MAPT P10636 2/20 0.44

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
SCHEMBL8982093 0.83 HPGD (0.62) HPGDALDH1A1CYP1A2LMNAKDM4E
SCHEMBL29023747 0.81 ALDH1A1 (0.53) HPGDALDH1A1CYP1A2LMNAKDM4E
SCHEMBL17119844 0.78 KDM4E (0.53) HPGDALDH1A1CYP1A2KDM4ECYP2C19
Allylamine SCHEMBL8580059 0.78 HPGD (0.58) HPGDALDH1A1CYP1A2LMNAKDM4E
SCHEMBL11640078 0.77 TSHR (0.60) HPGDALDH1A1CYP1A2KDM4ECYP2C19
SCHEMBL20734832 0.77 ALDH1A1 (0.52) HPGDALDH1A1CYP1A2KDM4ECYP2C19
Hydrochloric Acid SCHEMBL28625248 0.76 ALDH1A1 (0.80) HPGDALDH1A1CYP1A2LMNAMEN1
SCHEMBL24450535 0.76 KMT2A (0.55) HPGDALDH1A1CYP1A2LMNAKDM4E
SCHEMBL28069317 0.75 ALDH1A1 (0.59) HPGDALDH1A1CYP1A2KDM4ECYP2C19
SCHEMBL13873445 0.75 KDM4E (0.50) HPGDALDH1A1CYP1A2KDM4ECYP2C19

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-8173698-B2 Fluorescent probes; solid phase synthesis; kits Life Technologies Corporation (US) 2012-05-08 US disclosed
US-20080160627-A1 Environmental Sensitive Fluorogenic Compounds and Their Application for Singlet Oxygen and Protein Detection INVITROGEN CORPORATION (US) 2008-07-03 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-20080160627-A1 Environmental Sensitive Fluorogenic Compounds and Their Application for Singlet Oxygen and Protein Detection PPOX, HSPE1, PRDX3 HPGD 2137/4885ALDH1A1 2611/4885CYP1A2 3971/4885

“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.