SCHEMBL22787128

SCHEMBL22787128

O=C(O)CCCOc1cnc2c(n1)CCCC2=O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 10/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.34
LTB4R2 Q9NPC1 3/20 0.34
HRH3 Q9Y5N1 1/20 0.33
PDE2A O00408 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
P2RY12 Q9H244 1/20 0.32
TSHR P16473 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
FFAR4 Q5NUL3 1/20 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
SCHEMBL22773524 0.86 LTB4R (0.37) LTB4RSMN1; SMN2HRH3PDE2APDE3B
SCHEMBL22787134 0.80 HRH3 (0.34) HRH3
SCHEMBL22773520 0.79 LTB4R (0.42) LTB4RKDM4ESMN1; SMN2LTB4R2
SCHEMBL22773712 0.74 MAOA (0.41) KDM4EPDE2APDE3BPDE3AP2RY12
SCHEMBL22787204 0.73 GRK2 (0.33)
SCHEMBL22787138 0.73 GRK2 (0.33)
SCHEMBL22773696 0.69 HTT (0.36) KDM4ESMN1; SMN2TSHRMEN1KMT2A
SCHEMBL29525697 0.69 HTT (0.36) KDM4ESMN1; SMN2TSHRMEN1KMT2A
SCHEMBL19152982 0.67 TSHR (0.40) KDM4ESMN1; SMN2HRH3TSHRMEN1
SCHEMBL22787159 0.66 LTB4R (0.36) LTB4RLTB4R2TSHRFFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220267281-A1 UNSATURATED HETEROCYCLOALKYL AND HETEROAROMATIC ACYL HYDRAZONE LINKERS, METHODS AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-08-25 US disclosed
WO-2020248065-A1 UNSATURATED HETEROCYCLOALKYL AND HETEROAROMATIC ACYL HYDRAZONE LINKERS, METHODS AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2020-12-17 WO 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-20220267281-A1 UNSATURATED HETEROCYCLOALKYL AND HETEROAROMATIC ACYL HYDRAZONE LINKERS, METHODS AND USES THEREOF AADAC, ACSL3, ACSL1 LTB4R 313/4885KDM4E 3782/4885SMN1; SMN2 4447/4885

“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.