SCHEMBL3814933

SCHEMBL3814933

O=C(O)Cc1cnn(-c2ccccc2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.63
MAPT P10636 4/20 0.63
KDM4E B2RXH2 3/20 0.63
ALDH1A1 P00352 3/20 0.63
HPGD P15428 3/20 0.63
LMNA P02545 2/20 0.63
GAA P10253 2/20 0.63
POLB P06746 1/20 0.63
NR4A1 P22736 1/20 0.63
MPI P34949 1/20 0.63
RECQL P46063 1/20 0.63
ESR2 Q92731 1/20 0.63
HPGDS O60760 1/20 0.57
ALKBH2 Q6NS38 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
TP53 P04637 1/20 0.56
ALOX15 P16050 1/20 0.56
ALOX12 P18054 1/20 0.56

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
SCHEMBL31517715 0.87 MAPT (0.50) RAB9AMAPTKDM4EALDH1A1HPGD
SCHEMBL31517605 0.86 NAPRT (0.57) RAB9AMAPTKDM4EALDH1A1HPGD
SCHEMBL1359552 0.86 NAPRT (0.57) RAB9AMAPTKDM4EALDH1A1HPGD
SCHEMBL1194641 0.85 DRD2 (0.51) RAB9AMAPTKDM4EALDH1A1HPGD
SCHEMBL28629989 0.85 DRD4 (0.51) RAB9AMAPTKDM4EALDH1A1HPGD
SCHEMBL19510721 0.85 MAPT (0.49) RAB9AMAPTKDM4EALDH1A1HPGD
SCHEMBL31517482 0.85 MAPT (0.50) RAB9AMAPTKDM4EALDH1A1HPGD
SCHEMBL31517290 0.85 MAPT (0.49) RAB9AMAPTKDM4EALDH1A1HPGD
Biphenyl SCHEMBL27934333 0.84 NAPRT (0.51) RAB9AMAPTKDM4EALDH1A1HPGD
SCHEMBL31517348 0.84 MAPT (0.52) RAB9AMAPTKDM4EALDH1A1HPGD

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-9872846-B2 High penetration compositions and uses thereof TECHFIELDS PHARMA CO., LTD. (CN) 2018-01-23 US disclosed
US-20170209585-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF TECHFIELDS PHARMA CO LTD (CN) 2017-07-27 US disclosed
US-20170209404-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF PREMIER RESEARCH INTERNATIONAL, LLC 2017-07-27 US disclosed
US-20090238763-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF TECHFIELDS PHARMA CO., LTD. (CN) 2009-09-24 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 (3 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-20170209404-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF HPGDS, PTGIS, PTGES RAB9A 2675/4885MAPT 3194/4885KDM4E 4795/4885
US-20170209585-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF HPGDS, PTGIS, PTGES RAB9A 2675/4885MAPT 3194/4885KDM4E 4795/4885
US-20090238763-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF HPGDS, PTGIS, PTGES RAB9A 2675/4885MAPT 3194/4885KDM4E 4795/4885

“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.