SCHEMBL7607398

SCHEMBL7607398

CCOC(=O)c1cc(N)cn1CC1CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
PTGER4 P35408 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAOA P21397 1/20 0.40
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
TP53 P04637 4/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
KMT2A Q03164 1/20 0.36
ALOX15 P16050 1/20 0.36
ICMT O60725 2/20 0.36

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
SCHEMBL1417324 0.82 LMNA (0.46) LMNACYP1A2CYP3A4MAOACA12
SCHEMBL1844219 0.79 AR (0.46) LMNAALDH1A1SMN1; SMN2
SCHEMBL12438310 0.76 LMNA (0.41) LMNACYP1A2CYP3A4MAOACA12
SCHEMBL6825077 0.75 AR (0.45) ALDH1A1SMN1; SMN2
SCHEMBL31493404 0.75 KMT2A (0.48) LMNACYP1A2CYP3A4MAOAALDH1A1
SCHEMBL7613860 0.74 TP53 (0.38) TP53ALDH1A1KMT2A
SCHEMBL5121029 0.74 RAB9A (0.49) LMNACYP1A2CYP3A4MAOACA12
SCHEMBL1594682 0.74 LMNA (0.45) LMNAPTGER4CYP1A2CYP3A4MAOA
SCHEMBL5115630 0.74 SMN1; SMN2 (0.52) LMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL28343429 0.74 CNR2 (0.48) ALDH1A1

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-20020198254-A1 Polyamide analogs GENELABS TECHNOLOGIES, INC. 2002-12-26 US disclosed
WO-2002062755-A2 POLYAMIDE ANALOGS AS DNA MINOR GROOVE BINDERS GENELABS TECHNOLOGIES, INC. (US) 2002-08-15 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-20020198254-A1 Polyamide analogs CYP51A1, HDAC6, ERG28 LMNA 1778/4885PTGER4 4059/4885CYP1A2 1234/4885

“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.