SCHEMBL25736014

SCHEMBL25736014

O=C(O)C1=NCC(c2ccccc2)=C1c1cccc(-c2cc(Cl)c(O)c([N+](=O)[O-])c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DUSP3 P51452 3/20 0.56
▸ CRHBP P24387 1/20 0.45
▸ CRHR2 Q13324 1/20 0.45
▸ ERN1 O75460 7/20 0.42
▸ AKR1C2 P52895 2/20 0.38
▸ AKR1C1 Q04828 2/20 0.38
▸ GPR35 Q9HC97 1/20 0.37
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ PKM P14618 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ GALK1 P51570 1/20 0.36

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
SCHEMBL25736015 0.74 AKR1C2 (0.49) DUSP3AKR1C2AKR1C1
SCHEMBL5707253 0.66 CRHBP (1.00) CRHBPCRHR2ERN1GPR35MEN1
SCHEMBL3586161 0.63 DUSP3 (0.52) DUSP3CRHBPCRHR2ERN1GPR35
SCHEMBL9807399 0.63 GSK3A (0.57) GPR35SMN1; SMN2MAPTTDP1ALDH1A1
SCHEMBL3317242 0.62 CRHBP (0.77) DUSP3CRHBPCRHR2ERN1GPR35
SCHEMBL3770749 0.62 TTR (0.62) ERN1GPR35MEN1KMT2AKDM4E
SCHEMBL9251355 0.60 TSHR (0.58) CRHBPCRHR2MEN1KMT2AMAPT
SCHEMBL1897629 0.60 CRHBP (0.58) CRHBPCRHR2MEN1KMT2AMAPT
SCHEMBL1447068 0.60 CRHBP (0.50) DUSP3CRHBPCRHR2ERN1GPR35
SCHEMBL11672825 0.60 CRHBP (0.67) CRHBPCRHR2GPR35MEN1KMT2A

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-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES THE BROAD INSTITUTE, INC. 2024-01-25 — — US disclosed
US-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF THE BROAD INSTITUTE, INC. 2023-06-22 — — 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 (2 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-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES COASY, JMJD7, PTMS DUSP3 74/4885CRHBP 2232/4885CRHR2 4595/4885
US-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF ERBB2, ACP1, TK1 DUSP3 222/4885CRHBP 1775/4885CRHR2 4085/4885

“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.

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