SCHEMBL7501045

SCHEMBL7501045

CCC(C)OP(=O)(O)c1ccc(N)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
FDPS P14324 1/20 0.35
MAOA P21397 1/20 0.35
ANPEP P15144 1/20 0.33
ERAP2 Q6P179 1/20 0.33
TSHR P16473 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
CYP19A1 P11511 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
PDE4D Q08499 1/20 0.32
GAA P10253 2/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
SCN1A P35498 1/20 0.31
SCN2A Q99250 1/20 0.31
SCN3A Q9NY46 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL3894262 0.85 TSHR (0.47) LMNACYP3A4TSHRGAA
SCHEMBL11648928 0.83 MEN1 (0.39) LMNACYP3A4CYP2C9CYP2C19GAA
SCHEMBL914853 0.83 HTT (0.39) LMNACYP1A2FDPSNPC1SMN1; SMN2
SCHEMBL895237 0.83 ALDH1A1 (0.38) LMNAFDPSTDP1GAASMN1; SMN2
SCHEMBL778445 0.83 ALDH1A1 (0.47) TSHRTDP1GAA
SCHEMBL8922173 0.81 ALDH1A1 (0.38) LMNACYP3A4TSHRNPC1TP53
SCHEMBL521402 0.81 CA2 (0.48) LMNA
SCHEMBL914891 0.78 AKR1C3 (0.44) LMNACYP3A4TSHR
SCHEMBL1629454 0.78 ALOX5 (0.34) FDPSTDP1GAATP53ALOX5
SCHEMBL6118428 0.78 ALDH1A1 (0.41) LMNACYP1A2CYP3A4FDPSTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1259520-A2 NOVEL PURINES ARIAD PHARMACEUTICALS, INC. (US) 2002-11-27 EP disclosed
EP-1244679-A1 PURINE DERIVATIVES ARIAD PHARMACEUTICALS, INC. (US) 2002-10-02 EP disclosed
US-20020132819-A1 Novel purinse ARIAD PHARMACETICALS, INC. 2002-09-19 US disclosed
WO-2001044260-A9 NOVEL PURINES ARIAD PHARMA INC (US) 2002-07-04 WO disclosed
US-20020068721-A1 Purine derivatives ARIAD PHARMACEUTICALS, INC. 2002-06-06 US disclosed
WO-2001044259-A1 PURINE DERIVATIVES ARIAD PHARMACEUTICALS, INC. (US) 2001-06-21 WO disclosed
WO-2001044260-A2 NOVEL PURINES ARIAD PHARMACEUTICALS, INC. (US) 2001-06-21 WO disclosed
US-5670493-A ANGIOGENESIS INHIBITORS ADIR ET COMPAGNIE (FR) 1997-09-23 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 (2 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-20020068721-A1 Purine derivatives HPRT1, PNP, TYMP LMNA 2466/4885CYP1A2 414/4885CYP3A4 543/4885
US-20020132819-A1 Novel purinse PURB, NUDT15, NT5C2 LMNA 2803/4885CYP1A2 4737/4885CYP3A4 4805/4885

“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.