SCHEMBL7971382

SCHEMBL7971382

COc1nc(N2CCCCC2)c2nc(OC)nc(N3CCCCC3)c2n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.60
▸ MEN1 O00255 2/20 0.60
▸ KMT2A Q03164 2/20 0.60
▸ ATM Q13315 2/20 0.60
▸ RECQL P46063 1/20 0.60
▸ SLC29A1 Q99808 11/20 0.57
▸ NPY5R Q15761 1/20 0.46
▸ LMNA P02545 2/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ TSHR P16473 3/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ PDE2A O00408 1/20 0.41
▸ RGS12 O14924 1/20 0.41
▸ SLC22A2 O15244 1/20 0.41
▸ SLC22A1 O15245 1/20 0.41

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
SCHEMBL7973587 0.79 SLC29A1 (0.53) HTTMEN1KMT2AATMRECQL
SCHEMBL7970119 0.79 SLC29A1 (0.66) HTTMEN1KMT2AATMSLC29A1
SCHEMBL7976583 0.77 SLC29A1 (0.71) MEN1KMT2AATMSLC29A1LMNA
SCHEMBL7971739 0.75 SLC29A1 (0.60) MEN1KMT2AATMSLC29A1LMNA
SCHEMBL20639957 0.75 MEN1 (0.92) HTTMEN1KMT2AATMRECQL
SCHEMBL1276832 0.73 SLC29A1 (0.61) HTTMEN1KMT2AATMRECQL
SCHEMBL7960351 0.73 SLC29A1 (0.61) MEN1KMT2AATMSLC29A1LMNA
SCHEMBL7949410 0.72 SLC29A1 (0.63) HTTMEN1KMT2AATMSLC29A1
SCHEMBL7976494 0.72 MAPT (0.64) MEN1KMT2AATMSLC29A1LMNA
SCHEMBL7938834 0.70 TSHR (0.52) HTTMEN1KMT2AATMRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240166770-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF CELL-PENETRATING ANTIBODIES YALE UNIVERSITY 2024-05-23 — — US disclosed
WO-2021077070-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF CELL-PENETRATING ANTIBODIES YALE UNIVERSITY (US) 2021-04-22 — — WO disclosed
US-6297250-B1 USEFUL FOR INHIBITING TRANSPORT OF NUCLEOSIDES OR PURINES ACROSS CELL MEMBRANES, THEREBY TO POTENTIATE THE ACTIVITY OF VARIOUS CYTOTOXIC ANTITUMOR DRUGS NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 2001-10-02 — — 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-20240166770-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF CELL-PENETRATING ANTIBODIES SLC29A1, SLC29A2, SLC7A1 HTT 1365/4885MEN1 1409/4885KMT2A 3522/4885

“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.

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