SCHEMBL30007474

SCHEMBL30007474

Cc1cccc2c1[nH]c1cccc(C(N)=O)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.51
PARP1 P09874 4/20 0.47
JAK2 O60674 1/20 0.45
PIM1 P11309 1/20 0.43
PIM3 Q86V86 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 3/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
BRPF1 P55201 1/20 0.42
PBRM1 Q86U86 2/20 0.42
ATM Q13315 2/20 0.41
ALDH1A1 P00352 1/20 0.41
RPA1 P27694 1/20 0.41

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
SCHEMBL15994772 0.84 PARP1 (0.46) PARP1JAK2PIM1PIM3PBRM1
SCHEMBL3696223 0.81 MEN1 (0.58) PARP1JAK2ALOX15MAPK1CASP1
SCHEMBL28258650 0.79 JAK2 (0.48) PARP1JAK2PIM1PIM3ALOX15
SCHEMBL15995030 0.79 JAK2 (0.46) PARP1JAK2PIM1PIM3ALOX15
SCHEMBL6129592 0.79 IMPDH2 (0.55) PARP1PIM1PIM3HSD17B10KDM4E
SCHEMBL30006934 0.79 IMPDH2 (0.55) PARP1PIM1PIM3HSD17B10KDM4E
SCHEMBL8573302 0.79 MEN1 (0.63) KIF11PARP1JAK2PIM1PIM3
SCHEMBL29726993 0.78 KIF11 (0.68) KIF11MAPTKMT2AMEN1KDM4E
SCHEMBL16256557 0.78 KIF11 (0.68) KIF11MAPTKMT2AMEN1KDM4E
SCHEMBL2678407 0.77 ALOX15 (0.51) PARP1JAK2ALOX15MAPK1CASP1

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-20220370411-A1 EARLY MANAGEMENT, MITIGATION and PREVENTION OF SEPSIS and SEPSIS-LIKE SYNDROMES, INCLUDING NEO-NATAL ARDS DUE TO INFECTION, INJURY or IATROGENESIS OPHIREX INC (US) 2022-11-24 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 (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-20220370411-A1 EARLY MANAGEMENT, MITIGATION and PREVENTION OF SEPSIS and SEPSIS-LIKE SYNDROMES, INCLUDING NEO-NATAL ARDS DUE TO INFECTION, INJURY or IATROGENESIS PLA2G12A, PLA2G3, PLA2G1B KIF11 1517/4885PARP1 183/4885JAK2 985/4885

“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.