SCHEMBL6822912

SCHEMBL6822912

FC(F)(Br)c1cccc2c(C(Cl)Cl)cccc12

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.40
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP1A2 P05177 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
CYP2A6 P11509 1/20 0.30
KIF11 P52732 1/20 0.30

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
SCHEMBL6819380 0.87 P2RX7 (0.39) P2RX7KDM4ESMN1; SMN2HSD17B10CYP1A2
SCHEMBL6819263 0.82 P2RX7 (0.37) P2RX7KDM4ESMN1; SMN2HSD17B10CYP1A2
SCHEMBL6816727 0.82 P2RX7 (0.33) P2RX7CYP1A2ALDH1A1CYP2C9CYP2C19
SCHEMBL6819881 0.81 KIF11 (0.39) P2RX7KDM4ESMN1; SMN2HSD17B10CYP1A2
SCHEMBL6820234 0.78 CYP1A2 (0.45) HSD17B10CYP1A2ALDH1A1CYP2C9CYP2C19
SCHEMBL6816210 0.75 KDM4E (0.35) P2RX7KDM4ESMN1; SMN2HSD17B10ALDH1A1
SCHEMBL6819899 0.73 P2RX7 (0.36) P2RX7CYP1A2ALDH1A1CYP2C9CYP2C19
SCHEMBL6816117 0.69 P2RX7 (0.36) P2RX7KDM4ESMN1; SMN2HSD17B10CYP1A2
SCHEMBL7613484 0.69 ALDH1A1 (0.43) KDM4EHSD17B10CYP1A2ALDH1A1CYP2C9
SCHEMBL6564259 0.69 ACP3 (0.46) P2RX7ALDH1A1

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-0995734-B1 Method for production of halogen-containing aromatic compound NIPPON CATALYTIC CHEM IND (JP) 2004-05-12 EP disclosed
US-6433231-B2 BROMINATION THE CORRESPONDING NAPHTHALENE HALOGEN COMPOUND NIPPON SHOKUBAI CO., LTD. (JP) 2002-08-13 US disclosed
US-20010045350-A1 Method for production of halogen-containing aromatic compound NIPPON SHOKUBAI CO., LTD., A JAPAN CORPORATION 2001-11-29 US disclosed
US-6288290-B1 BROMINATION AND PHOTOBROMINATION OF AROMATIC COMPOUNDS NIPPON SHOKUBAI, CO., LTD. (JP) 2001-09-11 US disclosed
EP-0995734-A1 Method for production of halogen-containing aromatic compound Nippon Shokubai Co., Ltd. (JP) 2000-04-26 EP 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-20010045350-A1 Method for production of halogen-containing aromatic compound CBR1, CBR3, DCXR P2RX7 270/4885KDM4E 2637/4885SMN1; SMN2 4164/4885

“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.