SCHEMBL6809200

SCHEMBL6809200

CCOC(=O)/C=C/c1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
KMT2A Q03164 3/20 0.52
PKM P14618 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
MEN1 O00255 1/20 0.52
NPC1 O15118 1/20 0.52
HSP90AA1 P07900 1/20 0.52
HPGD P15428 1/20 0.52
CCR6 P51684 1/20 0.52
APOBEC3G Q9HC16 1/20 0.52
MAPT P10636 5/20 0.51
FBP1 P09467 1/20 0.48
KDM4E B2RXH2 1/20 0.47
POLB P06746 2/20 0.46
ALDH1A1 P00352 3/20 0.45
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
STAT3 P40763 1/20 0.44
EGFR P00533 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
SCHEMBL6639628 1.00 CYP1A2 (0.53) CYP1A2CYP2D6KMT2APKMNPSR1
SCHEMBL12885859 0.91 KMT2A (0.51) CYP1A2CYP2D6KMT2APKMNPSR1
SCHEMBL6987302 0.88 KMT2A (0.53) KMT2APKMNPSR1MEN1NPC1
SCHEMBL6987299 0.88 KMT2A (0.53) KMT2APKMNPSR1MEN1NPC1
SCHEMBL20671146 0.87 KMT2A (0.52) KMT2APKMNPSR1MEN1NPC1
SCHEMBL5579243 0.87 TTR (0.53) CYP1A2KMT2APKMNPSR1MEN1
SCHEMBL9305544 0.86 PKM (0.46) CYP1A2CYP2D6KMT2APKMNPSR1
SCHEMBL17980391 0.86 KMT2A (0.51) KMT2APKMNPSR1MEN1NPC1
SCHEMBL14508734 0.85 KMT2A (0.53) KMT2APKMNPSR1MEN1NPC1
SCHEMBL9388673 0.85 MAPT (0.49) CYP1A2CYP2D6KMT2APKMNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4073057-B1 NEW FYN AND VEGFR2 KINASE INHIBITORS Rottapharm Biotech Srl (IT) 2023-11-29 EP disclosed
US-20040157866-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-12 US disclosed
US-5324843-A Process for making 3,4,5,6-tetrahydrophthalimide derivatives BASF AKTIENGESELLSCHAFT (DE) 1994-06-28 US disclosed
US-5237089-A Herbicides BASF AKTIENGESELLSCHAFT (DE) 1993-08-17 US disclosed
US-5062884-A Herbicides BASF AKTIENGESELLSCHAFT (DE) 1991-11-05 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-20040157866-A1 Amide compounds APOB, NR1H2, NR1H3 CYP1A2 516/4885CYP2D6 1767/4885KMT2A 1496/4885

“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.