SCHEMBL3166171

SCHEMBL3166171

O=Cc1ccc(CNCCCn2ccnc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
LMNA P02545 1/20 0.51
QPCT Q16769 1/20 0.50
VEGFA P15692 1/20 0.50
EGLN1 Q9GZT9 1/20 0.50
ALDH1A1 P00352 1/20 0.49
CYP11B1 P15538 1/20 0.48
NPC1 O15118 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
CYP19A1 P11511 1/20 0.47
DRD4 P21917 1/20 0.47
MEN1 O00255 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46
TBXAS1 P24557 1/20 0.46

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
SCHEMBL3181153 0.91 SMN1; SMN2 (0.57) SMN1; SMN2LMNAQPCTVEGFAEGLN1
SCHEMBL14416010 0.85 SMN1; SMN2 (0.56) SMN1; SMN2LMNAQPCTVEGFAEGLN1
SCHEMBL8443968 0.84 HMOX1 (0.65) SMN1; SMN2LMNAQPCTVEGFAEGLN1
SCHEMBL14416009 0.84 CYP19A1 (0.67) SMN1; SMN2LMNAQPCTCYP11B1CYP19A1
SCHEMBL6571544 0.84 CYP1A2 (0.61) SMN1; SMN2LMNAQPCTALDH1A1CYP11B1
SCHEMBL2475754 0.84 QPCT (0.67) SMN1; SMN2QPCTVEGFAEGLN1CYP11B1
SCHEMBL8949305 0.81 NOS1 (0.59) SMN1; SMN2LMNAQPCTVEGFAEGLN1
SCHEMBL14416015 0.81 MEN1 (0.61) QPCTALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL3183135 0.81 CYP3A4 (0.53) SMN1; SMN2LMNAQPCTVEGFAEGLN1
SCHEMBL8447144 0.81 CYP2A6 (0.56) SMN1; SMN2QPCTALDH1A1CYP11B1CYP1A2

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-20100022769-A1 NOVEL POLYNITROGENATED SYSTEMS AS ANTI-HIV AGENTS INSTITUT QUIMIC DE SARRIA CETS (ES) 2010-01-28 US disclosed
EP-2100890-A1 NOVEL POLYNITROGENATED SYSTEMS AS ANTI-HIV AGENTS Institut Quimic De Sarria Cets (ES) 2009-09-16 EP 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-20100022769-A1 NOVEL POLYNITROGENATED SYSTEMS AS ANTI-HIV AGENTS MSR1, CCR5, CD4 SMN1; SMN2 3105/4885LMNA 4118/4885QPCT 2033/4885

“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.