SCHEMBL3650397

SCHEMBL3650397

O=C(O)c1cc2cc([N+](=O)[O-])cc(Cl)c2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
DAO P14920 2/20 0.42
GPR35 Q9HC97 3/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
BCL2L1 Q07817 1/20 0.39
KMT2A Q03164 2/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 2/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37

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
SCHEMBL3647920 0.86 POLB (0.42) ALDH1A1GPR35KMT2APOLBLMNA
SCHEMBL31573253 0.82 GPR35 (0.40) ALDH1A1GPR35CA1CA2BCL2L1
SCHEMBL17844690 0.74 DAO (0.47) ALDH1A1DAOGPR35BCL2L1KMT2A
SCHEMBL17173223 0.74 DAO (0.49) ALDH1A1DAOGPR35BCL2L1KMT2A
SCHEMBL1491507 0.73 POLB (0.63) ALDH1A1GPR35BCL2L1KMT2APOLB
Hydrochloric Acid SCHEMBL16398721 0.72 SMN1; SMN2 (0.62) ALDH1A1GPR35BCL2L1KMT2APOLB
SCHEMBL5787593 0.71 ALDH1A1 (0.59) ALDH1A1GPR35CA1CA2KMT2A
SCHEMBL15697538 0.71 DAO (0.43) DAOGPR35BCL2L1HPGDHDAC3
SCHEMBL15562641 0.70 DAO (0.55) ALDH1A1DAOGPR35CA1CA2
SCHEMBL1090443 0.70 BCL2L1 (0.54) ALDH1A1GPR35BCL2L1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507509-B2 Saturated and insaturated bi- or tricyclic aryloxyacetamine derivatives and their use as fungicides SYNGENTA CROP PROTECTION LLC (US) 2013-08-13 US disclosed
US-20100298356-A1 SATURATED AND INSATURATED BI- OR TRICYCLIC ARYLOXYACETAMINE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-11-25 US disclosed
EP-2185518-A2 SATURATED AND INSATURATED BI- OR TRICYCLIC ARYLOXYACETAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES Syngenta Participations AG (CH) 2010-05-19 EP disclosed
WO-2009030467-A2 SATURATED AND INSATURATED BI- OR TRICYCLIC ARYLOXYACETAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG, (CH) 2009-03-12 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-20100298356-A1 SATURATED AND INSATURATED BI- OR TRICYCLIC ARYLOXYACETAMINE DERIVATIVES AND THEIR USE AS FUNGICIDES CYP1A2, CYP1B1, CYP1A1 ALDH1A1 109/4885DAO 246/4885GPR35 744/4885

“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.