SCHEMBL7971383

SCHEMBL7971383

CN(Cc1ccccc1)c1nc(OCCO)nc2c(N(C)Cc3ccccc3)nc(OCCO)nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.44
CSF1R P07333 6/20 0.42
EGFR P00533 3/20 0.42
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
RPS6KB1 P23443 1/20 0.40
METAP2 P50579 1/20 0.38
METAP1 P53582 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.38
PIK3CD O00329 1/20 0.38
LMNA P02545 1/20 0.38
PIK3R1 P27986 1/20 0.38
HTT P42858 1/20 0.38
HIF1A Q16665 1/20 0.38
RAB9A P51151 1/20 0.38
RECQL P46063 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
SCHEMBL7970274 0.87 TLR7 (0.42) PDE5ACSF1RALDH1A1HPGDRPS6KB1
SCHEMBL7973381 0.86 TLR7 (0.46) PDE5ACSF1REGFRALDH1A1HPGD
SCHEMBL7960335 0.74 CSF1R (0.47) CSF1RALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL1223458 0.63 PDE5A (0.43) PDE5ACSF1REGFRALDH1A1RPS6KB1
SCHEMBL9379285 0.63 PDE5A (0.52) PDE5ACSF1RALDH1A1RPS6KB1METAP2
SCHEMBL12889093 0.63 ALDH1A1 (0.54) PDE5ACSF1RALDH1A1METAP2METAP1
SCHEMBL600149 0.62 SLC29A1 (0.48) ALDH1A1SMN1; SMN2TSHRKMT2APOLB
SCHEMBL9760037 0.62 TSHR (0.56) ALDH1A1SMN1; SMN2TSHRKDM4EHTR1D
SCHEMBL18485898 0.62 RAB9A (0.54) PDE5ACSF1RALDH1A1METAP2METAP1
Ethylene Glycol SCHEMBL8725210 0.62 TSHR (0.81) ALDH1A1TSHRKMT2ALMNARAB9A

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-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 claimed
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 PDE5A 521/4885CSF1R 1948/4885EGFR 1395/4885

“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.