SCHEMBL7973587

SCHEMBL7973587

CC(C)Oc1nc(N2CCCCC2)c2nc(OC(C)C)nc(N3CCCCC3)c2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 13/20 0.53
▸ ALDH1A1 P00352 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ ATM Q13315 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ PDE2A O00408 1/20 0.38
▸ RGS12 O14924 1/20 0.38
▸ SLC22A2 O15244 1/20 0.38
▸ SLC22A1 O15245 1/20 0.38
▸ ABCC4 O15439 1/20 0.38
▸ ABCC5 O15440 1/20 0.38
▸ PDE6D O43924 1/20 0.38
▸ PDE8A O60658 1/20 0.38
▸ GMNN O75496 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ PDE5A O76074 1/20 0.38
▸ ABCB11 O95342 1/20 0.38

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
SCHEMBL7971382 0.79 HTT (0.60) SLC29A1ALDH1A1MEN1KMT2AATM
SCHEMBL7971739 0.78 SLC29A1 (0.60) SLC29A1ALDH1A1MEN1KMT2AATM
SCHEMBL7970119 0.75 SLC29A1 (0.66) SLC29A1ALDH1A1MEN1KMT2AATM
SCHEMBL7976583 0.72 SLC29A1 (0.71) SLC29A1ALDH1A1MEN1KMT2AATM
SCHEMBL7948817 0.70 SLC29A1 (0.57) SLC29A1ALDH1A1MEN1KMT2AATM
SCHEMBL1276832 0.69 SLC29A1 (0.61) SLC29A1ALDH1A1MEN1KMT2AATM
SCHEMBL7960351 0.69 SLC29A1 (0.61) SLC29A1ALDH1A1MEN1KMT2AATM
SCHEMBL7976494 0.68 MAPT (0.64) SLC29A1ALDH1A1MEN1KMT2AATM
SCHEMBL7938834 0.66 TSHR (0.52) SLC29A1ALDH1A1MEN1KMT2AATM
SCHEMBL7942554 0.66 TSHR (0.52) SLC29A1ALDH1A1MEN1KMT2AATM

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 SLC29A1 1/4885ALDH1A1 2004/4885MEN1 1409/4885

“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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