SCHEMBL30596278

SCHEMBL30596278

O=C(CN(Cc1ccccn1)Cc1ccccn1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C19 P33261 1/20 0.56
MAPT P10636 3/20 0.56
LIN28A Q9H9Z2 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
KCNA5 P22460 1/20 0.47
CTNNB1 P35222 1/20 0.47
WNT3A P56704 1/20 0.47
KMT2A Q03164 2/20 0.46
PTPRA P18433 1/20 0.45
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
AGTR1 P30556 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL1066335 0.85 SMN1; SMN2 (0.61) SMN1; SMN2CYP1A2CYP2C19MAPTLIN28A
SCHEMBL3854916 0.83 SMN1; SMN2 (0.63) SMN1; SMN2CYP1A2CYP2C19MAPTLIN28A
SCHEMBL16626904 0.80 SMN1; SMN2 (0.59) SMN1; SMN2MAPTLIN28ATDP1KCNA5
SCHEMBL16626907 0.80 SMN1; SMN2 (0.59) SMN1; SMN2CYP1A2MAPTLIN28ATDP1
SCHEMBL2818579 0.79 SMN1; SMN2 (0.68) SMN1; SMN2CYP1A2CYP2C19MAPTLIN28A
SCHEMBL16606317 0.79 SMN1; SMN2 (0.58) SMN1; SMN2CYP1A2MAPTLIN28ATDP1
SCHEMBL2051943 0.78 RAB9A (0.75) SMN1; SMN2CYP1A2CYP2C19MAPTTDP1
SCHEMBL6011931 0.78 RAB9A (0.75) SMN1; SMN2CYP1A2CYP2C19MAPTTDP1
SCHEMBL8209122 0.77 TDP1 (0.66) SMN1; SMN2CYP1A2CYP2C19MAPTLIN28A
SCHEMBL8208243 0.77 SMN1; SMN2 (0.66) SMN1; SMN2CYP1A2CYP2C19MAPTLIN28A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250206762-A1 CONFORMATIONALLY GATED OPTOELECTRONIC MOLECULAR RECTIFIERS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2025-06-26 US disclosed
US-20250206762-A1 CONFORMATIONALLY GATED OPTOELECTRONIC MOLECULAR RECTIFIERS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2025-06-26 US disclosed
WO-2023192348-A1 CONFORMATIONALLY GATED OPTOELECTRONIC MOLECULAR RECTIFIERS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2023-10-05 WO disclosed
WO-2023192348-A1 CONFORMATIONALLY GATED OPTOELECTRONIC MOLECULAR RECTIFIERS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2023-10-05 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-20250206762-A1 CONFORMATIONALLY GATED OPTOELECTRONIC MOLECULAR RECTIFIERS OPRM1, TRPA1, ICMT SMN1; SMN2 4178/4885CYP1A2 2541/4885CYP2C19 3729/4885

“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.