SCHEMBL29644853

SCHEMBL29644853

O=C(CNCCc1ccncc1)NCCc1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
RAB9A P51151 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
NPC1 O15118 1/20 0.52
TAAR1 Q96RJ0 1/20 0.51
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALDH1A1 P00352 2/20 0.46
USP2 O75604 1/20 0.46
MAPT P10636 1/20 0.46
GAA P10253 1/20 0.46
EPHX2 P34913 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45

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
SCHEMBL16610103 0.81 CYP3A4 (0.61) SMN1; SMN2RAB9AMEN1KMT2ANPC1
SCHEMBL25179537 0.80 TBXAS1 (0.62) SMN1; SMN2RAB9AMEN1KMT2ANPC1
SCHEMBL770890 0.79 TAAR1 (0.73) TAAR1HDAC2HDAC8HDAC6GAA
SCHEMBL4462447 0.79 RECQL (0.54) SMN1; SMN2RAB9AMEN1KMT2ANPC1
SCHEMBL12831688 0.79 HDAC2 (0.49) SMN1; SMN2RAB9AMEN1KMT2ANPC1
SCHEMBL4462450 0.79 HDAC8 (0.56) SMN1; SMN2RAB9AMEN1KMT2ANPC1
SCHEMBL3394144 0.79 CYP1A2 (0.51) SMN1; SMN2RAB9AMEN1KMT2ANPC1
SCHEMBL12313357 0.79 HDAC2 (0.56) SMN1; SMN2RAB9AMEN1KMT2ANPC1
SCHEMBL15178383 0.78 MAPT (0.61) SMN1; SMN2KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL25784651 0.78 HDAC2 (0.61) SMN1; SMN2RAB9AMEN1KMT2ANPC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220135547-A1 HETEROCYCLIC LOW-MOLECULAR SAPP MIMETICS, A PHARMACEUTICAL COMPOSITION AND METHODS FOR PRODUCING AND USING SAME NENAYDENOV VALENTIN G (RU) 2022-05-05 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 (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-20220135547-A1 HETEROCYCLIC LOW-MOLECULAR SAPP MIMETICS, A PHARMACEUTICAL COMPOSITION AND METHODS FOR PRODUCING AND USING SAME APP, IAPP, BDNF SMN1; SMN2 95/4885RAB9A 2368/4885MEN1 2764/4885

“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.