SCHEMBL21058591

SCHEMBL21058591

O=C(c1ccc(-c2cc(Cl)nc(Cl)n2)cc1)N1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.57
HPGD P15428 6/20 0.56
PKM P14618 1/20 0.53
AKR1C3 P42330 1/20 0.52
HDAC4 P56524 1/20 0.49
JAK2 O60674 2/20 0.48
RIPK1 Q13546 1/20 0.48
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
EIF4E P06730 1/20 0.47
MAPK1 P28482 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL3993564 0.84 PHGDH (0.63) PHGDHHPGDPKMAKR1C3HDAC4
SCHEMBL2929014 0.80 PHGDH (0.57) PHGDHHPGDPKMAKR1C3HDAC4
SCHEMBL20576422 0.78 XDH (0.52) HPGDALDH1A1LMNATSHRMAPK1
SCHEMBL798155 0.77 PHGDH (0.60) PHGDHHPGDPKMAKR1C3ALDH1A1
SCHEMBL21058661 0.76 ACACB (0.44) PHGDHHPGDPKMAKR1C3JAK2
SCHEMBL10720943 0.75 PHGDH (0.81) PHGDHHPGDPKMAKR1C3ALDH1A1
(4-Chlorophenyl)(Morpholino)Methanone SCHEMBL6937394 0.74 PHGDH (1.00) PHGDHHPGDPKMAKR1C3ALDH1A1
SCHEMBL3998737 0.73 JAK2 (0.52) PHGDHHPGDPKMAKR1C3JAK2
SCHEMBL8172365 0.73 EPHX2 (0.71) PHGDHHPGDAKR1C3HDAC4TSHR
SCHEMBL7380246 0.73 MAP4K4 (0.51) HPGDALDH1A1LMNAMAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190185456-A1 INHIBITORS OF INFLUENZA VIRUS REPLICATION, APPLICATION METHODS AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2019-06-20 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-20190185456-A1 INHIBITORS OF INFLUENZA VIRUS REPLICATION, APPLICATION METHODS AND USES THEREOF POLRMT, EIF2AK2, POLM PHGDH 2830/4885HPGD 1750/4885PKM 2119/4885

“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.