SCHEMBL30006934

SCHEMBL30006934

NC(=O)c1cccc2[nH]c3ccccc3c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.55
IMPDH1 P20839 1/20 0.55
PARP1 P09874 6/20 0.53
ALDH1A1 P00352 6/20 0.51
ATM Q13315 2/20 0.51
PIM1 P11309 1/20 0.49
PIM3 Q86V86 1/20 0.49
GLA P06280 2/20 0.47
MAP2 P11137 1/20 0.46
PBRM1 Q86U86 1/20 0.45
GPR3 P46089 1/20 0.45
HSD17B10 Q99714 1/20 0.45
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44

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
SCHEMBL6129592 1.00 IMPDH2 (0.55) IMPDH2IMPDH1PARP1ALDH1A1ATM
SCHEMBL30007584 0.87 PARP1 (0.44) IMPDH2IMPDH1PARP1ALDH1A1ATM
SCHEMBL30749415 0.84 PARP1 (0.73) IMPDH2IMPDH1PARP1ALDH1A1ATM
SCHEMBL30455376 0.84 PARP1 (0.73) IMPDH2IMPDH1PARP1ALDH1A1ATM
SCHEMBL2183473 0.84 PARP1 (0.73) IMPDH2IMPDH1PARP1ALDH1A1ATM
SCHEMBL15995219 0.82 HTR7 (0.46) PARP1ALDH1A1KDM4EGAA
SCHEMBL6007642 0.82 IMPDH2 (0.55) IMPDH2IMPDH1PARP1ALDH1A1ATM
SCHEMBL14924257 0.81 PARP1 (0.56) PARP1ALDH1A1ATMPIM1PIM3
SCHEMBL30849286 0.81 KIF11 (0.50) PARP1ALDH1A1GABRPGABRDGABRA1
SCHEMBL9149047 0.81 PIM1 (0.50) PARP1ALDH1A1PIM1PIM3MAP2

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 IMPDH2 1775/4885IMPDH1 2847/4885PARP1 183/4885

“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.