SCHEMBL6785950

SCHEMBL6785950

C=C(OCC)c1ccnc(F)c1C=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.36
MAPT P10636 5/20 0.34
NPSR1 Q6W5P4 4/20 0.34
LMNA P02545 4/20 0.34
CYP2C19 P33261 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 1/20 0.34
ALDH1A1 P00352 3/20 0.33
ALOX15 P16050 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP3A4 P08684 2/20 0.32
MAPK1 P28482 2/20 0.32
CYP2D6 P10635 1/20 0.32
USP2 O75604 1/20 0.32
GAA P10253 2/20 0.31
TSHR P16473 1/20 0.31
L3MBTL1 Q9Y468 2/20 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
SCHEMBL31540721 0.75 NAPRT (0.47) MAPTLMNACYP2C19KMT2ACYP1A2
SCHEMBL2221588 0.73 NAPRT (0.52) MAPTNPSR1LMNAMEN1KMT2A
SCHEMBL29023465 0.70 NUDT1 (0.34) NUDT1MAPTNPSR1LMNACYP2C19
SCHEMBL25188532 0.70 HTT (0.41) NUDT1MAPTNPSR1CYP2C19MEN1
SCHEMBL29954937 0.70 CCR1 (0.35) MAPTNPSR1LMNAMEN1KMT2A
SCHEMBL17837436 0.70 CCR1 (0.35) MAPTNPSR1LMNAMEN1KMT2A
SCHEMBL845907 0.70 KDM4E (0.35) NUDT1MAPTCYP2C19MEN1KMT2A
SCHEMBL25191617 0.70 NUDT1 (0.33) NUDT1ALDH1A1GAAL3MBTL1
SCHEMBL25191200 0.70 NUDT1 (0.39) NUDT1MAPTNPSR1LMNACYP2C19
SCHEMBL25197566 0.70 PTGS2 (0.34) NUDT1LMNAKMT2AALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6699876-B2 FOR CANCER THERAPY LES LABORATOIRES SERVIER (FR) 2004-03-02 US disclosed
US-20030105109-A1 For cancer therapy LES LABORATOIRES SERVIER (FR) 2003-06-05 US disclosed
US-6509345-B2 For therapy of cancerous diseases LES LABORATOIRES SERVIER (FR) 2003-01-21 US disclosed
EP-1101765-B1 Camptothecin analogues, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2002-08-14 EP disclosed
US-20020077325-A1 New camptothecin analogue compounds LAVIELLE GILBERT (FR) 2002-06-20 US disclosed
EP-1101765-A2 Camptothecin analogues, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2001-05-23 EP 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-20030105109-A1 For cancer therapy OXER1, OXGR1, CBR1 NUDT1 1119/4885MAPT 4776/4885NPSR1 196/4885
US-20020077325-A1 New camptothecin analogue compounds OXER1, CBR3, CBR1 NUDT1 64/4885MAPT 4724/4885NPSR1 375/4885

“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.