SCHEMBL4826296

SCHEMBL4826296

COC(=O)Nc1ccc(C(C)C)cc1Br

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 2/20 0.49
P2RX7 Q99572 2/20 0.49
HPGD P15428 2/20 0.49
RAB9A P51151 5/20 0.45
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
MAPT P10636 4/20 0.45
NPC1 O15118 3/20 0.45
POLB P06746 2/20 0.45
SMN1; SMN2 Q16637 4/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL4821297 0.85 CYP1A2 (0.55) P2RX4P2RX7HPGDRAB9AMEN1
SCHEMBL3983979 0.83 CA1 (0.55) P2RX4P2RX7HPGDRAB9AMEN1
SCHEMBL4825991 0.81 HPGD (0.49) HPGDRAB9AMEN1KMT2AMAPT
SCHEMBL4827992 0.81 HPGD (0.49) HPGDRAB9AMEN1KMT2AMAPT
SCHEMBL4824928 0.81 HPGD (0.49) HPGDRAB9AMEN1KMT2AMAPT
SCHEMBL15160055 0.81 P2RX4 (0.49) P2RX4P2RX7HPGDRAB9AMEN1
SCHEMBL30336705 0.80 HPGD (0.70) HPGDRAB9AMEN1KMT2AMAPT
SCHEMBL14400453 0.80 HPGD (0.70) HPGDRAB9AMEN1KMT2AMAPT
SCHEMBL13516845 0.79 P2RX4 (0.48) P2RX4P2RX7HPGDRAB9AMEN1
SCHEMBL17027092 0.79 P2RX4 (0.51) P2RX4P2RX7HPGDRAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7439382-B2 4-alkyl-2-haloaniline derivatives and process for producing the same MEIJI SEIKA KAISHA, LTD. (JP) 2008-10-21 US disclosed
US-20050143454-A1 4-Alkyl-2-haloaniline derivative and process and process for producing the same MEIJI SEIKA PHARMA CO., LTD. (JP) 2005-06-30 US disclosed
EP-1506954-A1 4-ALKYL-2-HALOANILINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2005-02-16 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-20050143454-A1 4-Alkyl-2-haloaniline derivative and process and process for producing the same NAT1, CYP4X1, HAX1 P2RX4 1216/4885P2RX7 2785/4885HPGD 1153/4885

“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.